Molecule ID: 6438343

IUPAC Name: (5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin

Description: The molecule is a tetrapyrrole fundamental parent that is the core macrocycle of vitamin B12. It has a role as a cofactor. It is a member of corrins and a tetrapyrrole fundamental parent.

SMILES: C1=C2/CCC(=N2)/C=C2/CC/C(=C/C3=NC(CC3)C3CCC/1=N3)N2

SELFIES: [C][=C][/C][C][C][=Branch1][Ring2][=N][Ring1][Branch1][/C][=C][/C][C][/C][=Branch2][Ring1][Branch1][=C][/C][=N][C][Branch1][Branch1][C][C][Ring1][Branch1][C][C][C][C][-/Ring2][Ring1][Branch1][=N][Ring1][Branch1][N][Ring1][S]

InChI: InChI=1S/C19H22N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h9-11,18-20H,1-8H2/b12-9-,14-10-,15-11-

Molecular Properties:
- Polar Surface Area: 49.1 Ų
- LogP: 0.3