Summary

IMPPAT Phytochemical identifier: IMPHY016138

Phytochemical name: 1-Ethylnaphthalene

Synonymous chemical names:
1-ethylnaphthalene

External chemical identifiers:
CID:14315, ChEMBL:CHEMBL317740, ZINC:ZINC000001689600, FDASRS:P1MIE8TZ19, SureChEMBL:SCHEMBL47, MolPort-003-925-100

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Chemical structure information

SMILES:
CCc1cccc2c1cccc2

InChI:
InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3

InChIKey:
ZMXIYERNXPIYFR-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6cccc6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.436

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Chemical structure download