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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL376136
CHEMBL376136
Compound Name 3-AMINOPHENOL HYDROCHLORIDE
ChEMBL Synonyms 3-Aminophenol
Max Phase 0
Trade Names
Molecular Formula C6H8ClNO

Additional synonyms for CHEMBL376136 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.Nc1cccc(O)c1
Standard InChI InChI=1S/C6H7NO.ClH/c7-5-2-1-3-6(8)4-5;/h1-4,8H,7H2;1H
Standard InChI Key DCBCSMXGLXAXDM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL376136

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
109.1 109.0528 0.97 0 46.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.01 4.3 .61 .61 1 8 0.49

Structural Alerts

There are 3 structural alerts for CHEMBL376136. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DCBCSMXGLXAXDM-UHFFFAOYSA-N
Wikipedia 3-Aminophenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL376136



ACToR 51-81-0
eMolecules 6882860
EPA CompTox Dashboard DTXSID10892453
FDA SRS NQM2XX7XPO
PubChem 3045332 12231984
SureChEMBL SCHEMBL2475459 SCHEMBL17436690

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/DCBCSMXGLXAXDM-UHFFFAOYSA-N spacer
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