Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018140

Phytochemical name: 1-IODOTRIDECANE

Synonymous chemical names:
1-IODOTRIDECANE

External chemical identifiers:
Molport-047-156-997

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Chemical structure information

SMILES:
CCCCCCCCCCCCCI

InChI:
InChI=1S/C13H27I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3

InChIKey:
XGAMQNYEIPCUIZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCI

Functional groups:
CI

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organoiodides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.237

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Chemical structure download