Summary

IMPPAT Phytochemical identifier: IMPHY015181

Phytochemical name: 1H-Indene, 1-ethylidene-

Synonymous chemical names:
1-ethylidene-1h-indene

External chemical identifiers:
CID:5372637, ZINC:ZINC000104833920, SureChEMBL:SCHEMBL7942059

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Chemical structure information

SMILES:
C/C=C/1C=Cc2c1cccc2

InChI:
InChI=1S/C11H10/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2-8H,1H3/b9-2+

InChIKey:
HNZQPQACDDJLTD-XNWCZRBMSA-N

DeepSMILES:
C/C=CC=Ccc5cccc6

Functional groups:
C/C=C1C=Ccc1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=Cc2ccccc21

Scaffold Graph/Node level:
CC1CCC2CCCCC12

Scaffold Graph level:
CC1CCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indenes and isoindenes

NP-Likeness score: 0.927

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Chemical structure download