3-NITROANILINE Next Previous

ChEMBL ID CHEMBL14068
PubChem CID 7423
DrugBank Accession Number
ClinicalTrials 3-NITROANILINE
Molecular Formula C6H6N2O2
Inchikey XJCVRTZCHMZPBD-UHFFFAOYSA-N

Smiles
Nc1cccc(c1)[N+](=O)[O-]

Synonyms
3-Nitro-Phenylamine, 3-Nitroaniline, SID17388902, SID24827804

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 138.12
Rotatable Bonds 1
Acidic pKa (ACD) -
Basic pKa (ACD) 2.46
LogP (ACD) 1.34
LogD (ACD) 1.34
ALogP 0.98
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