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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1327143
CHEMBL1327143
Compound Name CHLOROPICRIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula CCl3NO2

Additional synonyms for CHEMBL1327143 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)C(Cl)(Cl)Cl
Standard InChI InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
Standard InChI Key LFHISGNCFUNFFM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1327143

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
164.4 162.8995 1.59 0 43.14 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.21 2.21 0 7 0.24

Structural Alerts

There are 8 structural alerts for CHEMBL1327143. To view alerts please click here.

Compound Cross References

IRAC M - MISCELLANEOUS
M8 - MISCELLANEOUS NONSPECIFIC (MULTI-SITE) INHIBITORS
M88B - CHLOROPICRIN
M88B1 - CHLOROPICRIN
ChemSpider ChemSpider:LFHISGNCFUNFFM-UHFFFAOYSA-N
PubChem SID: 144208768 SID: 17389967

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1327143



ACToR 76-06-2
ChEBI 39285
eMolecules 499754
EPA CompTox Dashboard DTXSID0020315
FDA SRS I4JTX7Z7U2
Guide to Pharmacology 6292
Human Metabolome Database HMDB0062271
IBM Patent System D1CDDE232032BF79070DB3AFF16EB739
KEGG Ligand C18445
PubChem 6423
PubChem: Thomson Pharma 15194935
SureChEMBL SCHEMBL75169
ZINC ZINC000017263524

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