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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14130
CHEMBL14130
Compound Name P-NITROPHENOL
ChEMBL Synonyms SR-1C2
Max Phase 0
Trade Names
Molecular Formula C6H5NO3

Additional synonyms for CHEMBL14130 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)[N+](=O)[O-]
Standard InChI InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
Standard InChI Key BTJIUGUIPKRLHP-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL14130

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
139.1 139.0269 1.48 1 66.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.23 - 1.67 1.27 1 10 0.47

Structural Alerts

There are 4 structural alerts for CHEMBL14130. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BTJIUGUIPKRLHP-UHFFFAOYSA-N
PubChem SID: 144209642 SID: 144210437
Wikipedia 4-Nitrophenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14130



ACToR 100-02-7
ChEBI 16836
DrugBank DB04417
eMolecules 477931
EPA CompTox Dashboard DTXSID0021834
FDA SRS Y92ZL45L4R
Human Metabolome Database HMDB01232
IBM Patent System 0C18BB0353FE71F0763E9D3E0E627AD0
KEGG Ligand C00870
Mcule MCULE-5860903209
MolPort MolPort-000-872-038
NMRShiftDB 10008820
PDBe NPO
PubChem 980
PubChem: Thomson Pharma 15291607
Recon 4nph
SureChEMBL SCHEMBL1839
ZINC ZINC34828682

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