Molecule ID: 136041721

IUPAC Name: 2-amino-8-chloro-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

Description: The molecule is an organochlorine compound comprising 2'-deoxyguanosine having a chloro substituent at position 8 of the guanine ring system. It is a member of guanosines and an organochlorine compound.

SMILES: N=c1nc(O)c2nc(Cl)n([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1

SELFIES: [N][=C][N][=C][Branch1][C][O][C][N][=C][Branch1][C][Cl][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Ring1][=C][NH1][Ring2][Ring1][Ring1]

InChI: InChI=1S/C10H12ClN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3-,4+,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -0.8