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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL269755
CHEMBL269755
Compound Name 3-AMINOPHENOL
ChEMBL Synonyms 3-Aminophenol | 3-Amino-Phenol
Max Phase 0
Trade Names
Molecular Formula C6H7NO

Additional synonyms for CHEMBL269755 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL269755

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
10.01 4.3 .61 .61 1 8 0.49

Structural Alerts

There are 3 structural alerts for CHEMBL269755. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CWLKGDAVCFYWJK-UHFFFAOYSA-N
PubChem SID: 144207904 SID: 17388939 SID: 85148673
Wikipedia 3-Aminophenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL269755



ACToR 591-27-5
BindingDB 50428384
Brenda 43324 97371 50819 6439
ChEBI 28924
eMolecules 477084
EPA CompTox Dashboard DTXSID3024497
FDA SRS L3WTS6QT82
IBM Patent System 282F08B00D1BC4023FF74DA9D2801CE5
KEGG Ligand C05058
Mcule MCULE-7576733778
MolPort MolPort-001-790-594
Nikkaji J1.644F
NMRShiftDB 10009266
PubChem 11568
PubChem: Thomson Pharma 14842847
SureChEMBL SCHEMBL35586
ZINC ZINC000000157527

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