Molecule ID: 44224035

IUPAC Name: 6-[(4-hydroxy-3-iodo-5-nitrobenzoyl)amino]hexanoic acid

Description: The molecule is a carboxamide compound having an N-(5-carboxypentyl) substituent and a C-(4-hydroxy--5-iodo-3-nitrophenyl) substituent. It is a monocarboxylic acid, an organoiodine compound, a member of 2-nitrophenols and a N-acyl-amino acid. It derives from a 6-aminohexanoic acid.

SMILES: O=C(O)CCCCCN=C(O)c1cc(I)c(O)c([N+](=O)[O-])c1

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][C][N][=C][Branch1][C][O][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O]

InChI: InChI=1S/C13H15IN2O6/c14-9-6-8(7-10(12(9)19)16(21)22)13(20)15-5-3-1-2-4-11(17)18/h6-7,19H,1-5H2,(H,15,20)(H,17,18)

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: 2.4