Molecule ID: 139072

IUPAC Name: 6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoic acid

Description: The molecule is a benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at positions 4 and 7 by (5-carboxypentyl)amino and nitro groups, respectively. It has a role as a fluorochrome. It is a benzoxadiazole, a C-nitro compound, a secondary amino compound and an epsilon-amino acid.

SMILES: O=C(O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12

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

InChI: InChI=1S/C12H14N4O5/c17-10(18)4-2-1-3-7-13-8-5-6-9(16(19)20)12-11(8)14-21-15-12/h5-6,13H,1-4,7H2,(H,17,18)

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: 1.6