C38H37N3O8 Ntabwo Yashizweho

Amakuru y'ibanze:

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Ibicuruzwa birambuye

Ibicuruzwa

Imiterere yumubiri

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	663.72	-
Ubucucike (Biteganijwe)	1.304 ± 0.06 g / cm3	Ubushyuhe: 20 ° C;Kanda: 760 Torr
pKa (Byahanuwe)	8.27 ± 0.10	Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical O = C1NC (= O) N (C = C1C (= O) NCC = 2C = CC = CC2) C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5 ) C6 = CC = C (OC) C = C6) C (O) C3
Isomeric SMILES
C (OC [C @ H] 1O [C @ H] (C [C @@ H] 1O) N2C = C (C (NCC3 = CC = CC = C3) = O) C (= O) NC2 = O) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C 6
InChI
InChI = 1S / C38H37N3O8 / c1-46-29-17-13-27 (14-18-29) 38 (26-11-7-4-8-12-26,28-15-19-30 (47- 2) 20-16-28) 48-24-33-32 (42) 21-34 (49-33) 4 1-23-31 (36 (44) 40-37 (41) 45) 35 (43) 39 -22-25-9-5-3-6-10-25 / h3-20,23,32-34,42H, 21-22,24H2,1-2H3, (H, 39,43) (H, 40 , 44,45) / t32-
, 33 +, 34 + / m0 / s1
InChI Urufunguzo
NZBGRVLZISPURB-LBFZIJHGSA-N

Ibintu Byateganijwe

Ibyiza birahari

Ibinyabuzima

Ibyiza birahari

Imiti

Ubucucike

Lipinski

Imiterere ijyanye

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	5250	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	5250	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	5260	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	5260	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	5250	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	5200	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	4720	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	2460	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	466	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	96.9	pH 10;Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	16000	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Koc	16000	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Koc	16000	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Koc	16000	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Koc	16000	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Koc	15800	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Koc	14400	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Koc	7510	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1420	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Koc	296	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logD	5.20	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
logD	5.20	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
logD	5.20	pH 3;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
logD	5.20	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
logD	5.20	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
logD	5.19	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
logD	5.15	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
logD	4.87	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
logD	4.15	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
logD	3.46	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logP	5.198 ± 0.644	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	9.3 x 10-6 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	9.3 x 10-6 g / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	9.3 x 10-6 g / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	9.3 x 10-6 g / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	9.3 x 10-6 g / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	9.3 x 10-6 g / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	9.3 x 10-6 g / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.1 x 10-5 g / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.0 x 10-5 g / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.1 x 10-4 g / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	5.1 x 10-4 g / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.1 x 10-5 g / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	1.4 x 10-8 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.4 x 10-8 mol / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.4 x 10-8 mol / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.4 x 10-8 mol / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.4 x 10-8 mol / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.4 x 10-8 mol / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.4 x 10-8 mol / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.6 x 10-8 mol / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.0 x 10-8 mol / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.6 x 10-7 mol / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	7.7 x 10-7 mol / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.6 x 10-8 mol / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Uburemere bwa molekile	663.72
pKa	8.27 ± 0.10	Ubushyuhe bwinshi bwa Acide: 25 ° C.	(1) ACD
pKa	-1.66 ± 0.20	Ubushyuhe bwibanze: 25 ° C.	(1) ACD

Ubucucike

Umutungo	Agaciro	Imiterere	Inkomoko
Ubucucike	1.304 ± 0.06 g / cm3	Ubushyuhe: 20 ° C;Kanda: 760 Torr	(1) ACD
Umubumbe wa Molar	508.6 ± 3.0 cm3 / mol	Ubushyuhe: 20 ° C;Kanda: 760 Torr	(1) ACD

Lipinski

Umutungo	Agaciro	Imiterere	Inkomoko
Impapuro zishobora guhinduka	13		(1) ACD
H Abakira	11		(1) ACD
H Abaterankunga	3		(1) ACD
H Abaterankunga / Abemera Sum	14		(1) ACD
logP	5.198 ± 0.644	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	663.72