Summary

IMPPAT Phytochemical identifier: IMPHY016267

Phytochemical name: 2-Methylanthracene

Synonymous chemical names:
2-methylanthracene

External chemical identifiers:
CID:11936, ChEMBL:CHEMBL1797266, ZINC:ZINC000001562044, FDASRS:6C868JOV4A, SureChEMBL:SCHEMBL167213, MolPort-006-112-071

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Chemical structure information

SMILES:
Cc1ccc2c(c1)cc1c(c2)cccc1

InChI:
InChI=1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3

InChIKey:
GYMFBYTZOGMSQJ-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)cccc6)cccc6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2cc3ccccc3cc2c1

Scaffold Graph/Node level:
C1CCC2CC3CCCCC3CC2C1

Scaffold Graph level:
C1CCC2CC3CCCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

NP-Likeness score: -0.323

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Chemical structure download