2-Amino-5-nitrobenzoic acid

AlkaPlorer ID: AK286560

Synonym: 5-Nitroanthranilic acid

IUPAC Name: 2-amino-5-nitrobenzoic acid

Structure

SMILES: NC1=CC=C([N+](=O)[O-])C=C1C(=O)O

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InChI: InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)

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InChIKey: RUCHWTKMOWXHLU-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 182.135

TPSA: 106.46

MolLogP: 0.8752

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Rattus norvegicus Rattus norvegicus Inhibition 30.0 % 10.1016/S0960-894X(97)00261-8

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT020666 Nc1ccc([N+](=O)[O-])cc1C(=O)O>>O=C(O)c1cc([N+](=O)[O-])ccc1O enzymemap_79983