Molecule

2-Amino-3-chlorobenzoic acid

AlkaPlorer ID: AK243243

Synonym: 3-Chloroanthranilic acid

IUPAC Name: 2-amino-3-chlorobenzoic acid

SMILES: NC1=C(C(=O)O)C=CC=C1Cl

InChI: InChI=1S/C7H6ClNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)

InChIKey: LWUAMROXVQLJKA-UHFFFAOYSA-N

PubChem CID: 80807

CAS: 6388-47-2

LOTUS: LTS0136488

SuperNatural Ⅲ: SN0217555

NPASS: NPC289574

COCONUT: CNP0150804

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aglaia tomentosa	Aglaia	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Backhousia citriodora	Backhousia	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Upuna borneensis	Upuna	Dipterocarpaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Centipeda minima	Centipeda	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Trichoderma avellaneum	Trichoderma	Hypocreaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Capraria biflora	Capraria	Scrophulariaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Senecio macrocephalus	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 171.58299999999997

TPSA？: 63.32000000000001

MolLogP？: 1.6204

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	Molecular identity unknown	Ki	12900.0	nM	10.1021/acs.jmedchem.5b01698

AKRT ID	Reaction	Reaction Link ID
AKRT020513	Nc1c(Cl)cccc1C(=O)CC(N)C(=O)O>>CC(N)C(=O)O.Nc1c(Cl)cccc1C(=O)O	None
AKRT020514	Nc1c(Cl)cccc1C(=O)CC(N)C(=O)O>>Nc1c(Cl)cccc1C(=O)O	enzymemap_80974