Summary

IMPPAT Phytochemical identifier: IMPHY016128

Phytochemical name: 1-Chlorooctadecane

Synonymous chemical names:
1-chlorooctadecane, octadecyl chloride

External chemical identifiers:
CID:18815, ChEMBL:CHEMBL3187568, ZINC:ZINC000060003888, FDASRS:73H8VD533I, SureChEMBL:SCHEMBL7496, MolPort-003-928-376

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCl

InChI:
InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

InChIKey:
VUQPJRPDRDVQMN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCl

Functional groups:
CCl

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organochlorides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Halogenated hydrocarbons

NP-Likeness score: 0.11

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Chemical structure download