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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1142
CHEMBL1142
Compound Name 4-AMINOPHENOL
ChEMBL Synonyms 4-Aminophenol | P-Aminophenol
Max Phase 0
Trade Names
Molecular Formula C6H7NO

Additional synonyms for CHEMBL1142 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(O)cc1
Standard InChI InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
Standard InChI Key PLIKAWJENQZMHA-UHFFFAOYSA-N

Structural Alerts

There are 5 structural alerts for CHEMBL1142. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1142

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 0.84 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
10.17 5.28 .01 .01 1 8 0.38

Compound Cross References

ChemSpider ChemSpider:PLIKAWJENQZMHA-UHFFFAOYSA-N
PubChem SID: 124890037 SID: 144206793 SID: 144207026 SID: 144208228 SID: 170466875 SID: 17388802 SID: 47193681
Wikipedia 4-Aminophenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1142



ACToR 123-30-8
BindingDB 26195
ChEBI 17602
eMolecules 477088
FDA SRS R7P8FRP05V
Human Metabolome Database HMDB01169
IBM Patent System 9FE7DDBCCE507A25B3A9F67C32567773
KEGG Ligand C02372
Mcule MCULE-3319647085
MolPort MolPort-001-641-054
Nikkaji J3.620J
NMRShiftDB 10008620
PDBe 4NL
PubChem 403 13283155
PubChem: Thomson Pharma 15119742
SureChEMBL SCHEMBL3424
ZINC ZINC04623758

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