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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL41873
CHEMBL41873
Compound Name
ChEMBL Synonyms Ammonium-Methanephosphonic Acid Anion
Max Phase 0
Trade Names
Molecular Formula CH6NO3P

Additional synonyms for CHEMBL41873 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCP(=O)(O)O
Standard InChI InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
Standard InChI Key MGRVRXRGTBOSHW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL41873

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
111 111.0085 -0.92 1 83.55 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.97 9.93 -1.71 -5.06 0 6 0.38

Structural Alerts

There are 3 structural alerts for CHEMBL41873. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MGRVRXRGTBOSHW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL41873



ACToR 1066-51-9
BindingDB 50024591
Brenda 14397 29739 110621
ChEBI 28812
ChemicalBook CB5139354
eMolecules 476927
EPA CompTox Dashboard DTXSID5037490
FDA SRS 90825O5C1U
IBM Patent System DEC9258B70701741664C38B0DD0AB1C7
KEGG Ligand C11033
MolPort MolPort-001-789-858
Nikkaji J138.614J
PDBe PGL
PubChem 5245512 14017
PubChem: Thomson Pharma 14915975
SureChEMBL SCHEMBL66605
ZINC ZINC000008418339

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