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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

Structural Alerts

There are no structural alerts for CHEMBL14130

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

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
FDA SRS Y92ZL45L4R
Human Metabolome Database HMDB01232
IBM Patent System 0C18BB0353FE71F0763E9D3E0E627AD0
IBM Patents US20030119964 US7223791 US20020094987 WO2006136543A2 US5463138 US7531673 EP1834945A1 US6994974 US3950330 US7537751 EP0709386A1 EP0307927A2 EP0601642B1 EP0944661A1 EP1827099A2 EP0221046A2 US20050261269 US20100183509 US20030225088 US4983512 US20080093985 EP1902714A1 EP1861127A1 WO2001098423A1 US20030027078 EP0550105A3 EP0572478B1 US5512596 US20030186163 EP1771454A1 EP0850295B1 WO2005058841A2 WO2010127923A2 US5158936 US4007174 US20090162886 US4264526 US20060205674 US6139973 EP1263288A1 US5859344 US5792647 US5780590 US20050085622 US20030129197 WO2006126011A2 EP1200447A1 US20060063272 EP0324786A1 EP0486948A3 EP1377320A2 EP0310214A2 US7655234 EP1372734A1 EP1973525A1 US3960571 EP1269842B1 WO2004100960A2 EP0708796A1 US6946239 WO2007008389A2 EP0227459A2 US7208483 WO2010130049A1 EP0573271A1 EP1530079A1 EP1582753A1 WO1998003636A1 EP0161188B1 EP0285178B1 WO2007087453A2 WO1996027370A1 US4963479 US4753893 EP0288278B1 WO2005023761A2 EP1963292A2 US20040020564 US4424277 US6767728 WO2008147556A2 EP0055358A1 WO2000032588A2 EP1653991A2 EP2216393A1 EP0502424B1 US6228858 WO2010116140A1 EP1820799A1 EP1004588A1 US20070278938 US20100323965 EP0914964B1 US20040023313 US20060234161 US7706984 US6530999 US20080305531 EP2040758A2 EP2251336A1
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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