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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15910
CHEMBL15910
Compound Name SOMAN
ChEMBL Synonyms Soman
Max Phase 0
Trade Names
Molecular Formula C7H16FO2P

Additional synonyms for CHEMBL15910 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(OP(=O)(C)F)C(C)(C)C
Standard InChI InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3
Standard InChI Key GRXKLBBBQUKJJZ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL15910

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
182.2 182.0872 1.59 3 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
- - 1.78 1.78 0 11 0.62

Structural Alerts

There are 9 structural alerts for CHEMBL15910. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GRXKLBBBQUKJJZ-UHFFFAOYSA-N
Wikipedia Soman

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15910



ACToR 96-64-0 68190-07-8
BindingDB 50292572
ChEBI 9195
EPA CompTox Dashboard DTXSID2031906
IBM Patent System 344BDD1996C792161EA1C2456A06BDF4
KEGG Ligand C07494
Nikkaji J4.722H
PubChem 7305
PubChem: Thomson Pharma 15147347
SureChEMBL SCHEMBL59654

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