Summary

IMPPAT Phytochemical identifier: IMPHY014435

Phytochemical name: Phenylheptatriene

Synonymous chemical names:
phenylheptatriene

External chemical identifiers:
CID:53803770

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Chemical structure information

SMILES:
CC=CC=CC=Cc1ccccc1

InChI:
InChI=1S/C13H14/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-12H,1H3

InChIKey:
FKFUJTRUAUKHGB-UHFFFAOYSA-N

DeepSMILES:
CC=CC=CC=Ccccccc6

Functional groups:
cC=CC=CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP-Likeness score: 0.722

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Chemical structure download