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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1235291
CHEMBL1235291
Compound Name PHOSPHONIC ACID
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula H3O3P

Additional synonyms for CHEMBL1235291 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OP(=O)O
Standard InChI InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)
Standard InChI Key ABLZXFCXXLZCGV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1235291

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
82 81.982 -0.64 0 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.24 - -3.02 -7.39 0 4 0.38

Structural Alerts

There are 2 structural alerts for CHEMBL1235291. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ABLZXFCXXLZCGV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1235291



ACToR 10294-56-1
Brenda 1242 3397
ChEBI 44976
ChemicalBook CB6700409
eMolecules 475811
EPA CompTox Dashboard DTXSID2049715
FDA SRS 35V6A8JW8E
KEGG Ligand C06701
Nikkaji J96.461A
PDBe PHS
PubChem 407
PubChem: Thomson Pharma 15213207
SureChEMBL SCHEMBL4074
ZINC ZINC000245204350

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