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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL24231
CHEMBL24231
Compound Name p-NITROPHENYLPHOSPHATE
ChEMBL Synonyms P-Nitrophenylphosphate | 4-Nitrophenyl Dihydrogen Phosphate | 4-Nitrophenyl Phosphate
Max Phase 0
Trade Names
Molecular Formula C6H6NO6P

Additional synonyms for CHEMBL24231 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]
Standard InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H, ...
Download InChI
Standard InChI Key XZKIHKMTEMTJQX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL24231

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
219.1 218.9933 1.07 3 109.9 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.86 - .39 -3.58 1 14 0.45

Structural Alerts

There are 8 structural alerts for CHEMBL24231. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XZKIHKMTEMTJQX-UHFFFAOYSA-N
Wikipedia Para-Nitrophenylphosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL24231



ACToR 330-13-2
BindingDB 24514
Brenda 101922 136 5198 40098 20843 133672 59262 184
ChEBI 17440
ChemicalBook CB2142160
DrugBank DB04214
eMolecules 1984979
EPA CompTox Dashboard DTXSID60861876
Human Metabolome Database HMDB0060272
IBM Patent System E9989032E947905AD09F53D3C04AA994
KEGG Ligand C03360
Mcule MCULE-5038636902
Metabolights MTBLC17440
MolPort MolPort-003-907-271
PDBe 4NP
PubChem 378
PubChem: Thomson Pharma 15220398
SureChEMBL SCHEMBL35320
ZINC ZINC000001529638

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