InChI: | InChI=1/C19H26N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h5-12H,13H2,1-4H3,(H2,20,22,26)(H2,21,23,27) |
Specification: |
The Yellow inhibitor HN-150, with its CAS registry number 85095-61-0, has the systematic name of N,N'-(methanediyldibenzene-4,1-diyl)bis(2,2-dimethylhydrazinecarboxamide). This product has the chemical formula of C19H26N6O2.
The characteristics of Yellow inhibitor HN-150 are as follows:(1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 85; (8)ACD/KOC (pH 7.4): 86; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 88.74 ; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 108.009 cm3; (15)Molar Volume: 300.153 cm3; (16)Polarizability: 42.818 10-24cm3; (17)Surface Tension: 53.737 dyne/cm; (18)Density: 1.234 g/cm3.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(Nc1ccc(cc1)Cc2ccc(NC(=O)NN(C)C)cc2)NN(C)C
(2)InChI:InChI=1/C19H26N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h5-12H,13H2,1-4H3,(H2,20,22,26)(H2,21,23,27)
(3)InChIKey:AQABZFKTYXFIJF-UHFFFAOYAV
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