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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL509554
CHEMBL509554
Compound Name ISOPROPYL METHYLPHOSPHONOFLUORIDATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H10FO2P

Additional synonyms for CHEMBL509554 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)OP(=O)(C)F
Standard InChI InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3
Standard InChI Key DYAHQFWOVKZOOW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL509554

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
140.1 140.0402 0.47 2 36.11 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .51 .51 0 8 0.52

Structural Alerts

There are 9 structural alerts for CHEMBL509554. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DYAHQFWOVKZOOW-UHFFFAOYSA-N
Wikipedia Sarin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL509554



ACToR 107-44-8 102490-54-0
Brenda 147998 2668 93740 33695 44277 19510
ChEBI 75873
EPA CompTox Dashboard DTXSID0042371
IBM Patent System B75868553431A090385DE705147D0215
KEGG Ligand C11764
Nikkaji J5.059H
PubChem 7871
PubChem: Thomson Pharma 14747757
SureChEMBL SCHEMBL50256

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