Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017980

Phytochemical name: 1-Iodododecane

Synonymous chemical names:
1-Iodododecane

External chemical identifiers:
CID:CID_20282, ChEMBL:CHEMBL3181940, ZINC:ZINC000001699897, SureChEMBL:SCHEMBL337211, Molport-001-768-402

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Chemical structure information

SMILES:
CCCCCCCCCCCCI

InChI:
InChI=1S/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3

InChIKey:
GCDPERPXPREHJF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCI

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: 0.255

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Chemical structure download