Molecule ID: 3256859

IUPAC Name: 6-[[2-(4-hydroxy-3-nitrophenyl)acetyl]amino]hexanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid, formed ny proton loss from the carboxy group. It is a conjugate base of a 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid.

SMILES: O=C(O)CCCCCN=C(O)Cc1ccc([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][C][=C][Branch1][C][O-1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]

InChI: InChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)/p-1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: 2.4