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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 1.23 3 122.38 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 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
DrugBank DB04214
eMolecules 1984979
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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