Summary

IMPPAT Phytochemical identifier: IMPHY016690

Phytochemical name: Indan

Synonymous chemical names:
indane

External chemical identifiers:
CID:10326, ChEMBL:CHEMBL370687, ChEBI:37911, ZINC:ZINC000001680824, FDASRS:H9SCX043IG, SureChEMBL:SCHEMBL9662, MolPort-001-759-960

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Chemical structure information

SMILES:
C1Cc2c(C1)cccc2

InChI:
InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2

InChIKey:
PQNFLJBBNBOBRQ-UHFFFAOYSA-N

DeepSMILES:
CCccC5)cccc6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC2

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.44

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Chemical structure download