methyl isocyanate   Click here for help

GtoPdb Ligand ID: 6290

Abbreviated name: MIC
Synonyms: isocyanatomethane | isocyanic acid | methyl carbonimide
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 29.43
Molecular weight 57.02
XLogP 1.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN=C=O
Isomeric SMILES CN=C=O
InChI InChI=1S/C2H3NO/c1-3-2-4/h1H3
InChI Key HAMGRBXTJNITHG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
methylimino-oxomethane
Synonyms Click here for help
isocyanatomethane | isocyanic acid | methyl carbonimide
Database Links Click here for help
CAS Registry No. 624-83-9 (source: SciFinder)
ChEMBL Ligand CHEMBL1608558
GtoPdb PubChem SID 178102910
PubChem CID 12228
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Wikipedia Methyl isocyanate