Summary

IMPPAT Phytochemical identifier: IMPHY009965

Phytochemical name: Cyclohexanone

Synonymous chemical names:
cyclohexanone

External chemical identifiers:
CID:7967, ChEMBL:CHEMBL18850, ChEBI:17854, ZINC:ZINC000004528575, FDASRS:5QOR3YM052, SureChEMBL:SCHEMBL3299, MolPort-000-871-993

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Chemical structure information

SMILES:
O=C1CCCCC1

InChI:
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

InChIKey:
JHIVVAPYMSGYDF-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC6

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 0.561

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Chemical structure download