chloropicrin   Click here for help

GtoPdb Ligand ID: 6292

Synonyms: nitrotrichloromethane | trichloronitromethane
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 43.14
Molecular weight 162.9
XLogP 1.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ClC([N+](=O)[O-])(Cl)Cl
Isomeric SMILES ClC([N+](=O)[O-])(Cl)Cl
InChI InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
InChI Key LFHISGNCFUNFFM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
trichloro-nitromethane
Synonyms Click here for help
nitrotrichloromethane | trichloronitromethane
Database Links Click here for help
CAS Registry No. 76-06-2 (source: SciFinder)
ChEMBL Ligand CHEMBL1327143
GtoPdb PubChem SID 178102912
PubChem CID 6423
Search Google for chemical match using the InChIKey LFHISGNCFUNFFM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LFHISGNCFUNFFM
Search UniChem for chemical match using the InChIKey LFHISGNCFUNFFM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LFHISGNCFUNFFM
Wikipedia Chloropicrin