4-(2-amino-3-chlorophenyl)-1H-pyrrole-2-carboxylic acid

AlkaPlorer ID: AK025859

Synonym: None

IUPAC Name: 4-(2-amino-3-chlorophenyl)-1H-pyrrole-2-carboxylic acid

Structure

SMILES: NC1=C(C2=CNC(C(=O)O)=C2)C=CC=C1Cl

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InChI: InChI=1S/C11H9ClN2O2/c12-8-3-1-2-7(10(8)13)6-4-9(11(15)16)14-5-6/h1-5,14H,13H2,(H,15,16)

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InChIKey: CCQSWPUSHHCADO-UHFFFAOYSA-N

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Reference

PubChem CID: 121223548

NPASS: NPC88573

COCONUT: CNP0385700

Properties Information

Molecule Weight: 236.658

TPSA: 79.11

MolLogP: 2.6155

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information