Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008382

Phytochemical name: Adamantane

Synonymous chemical names:
adamantane (c10h16), adamantane

External chemical identifiers:
CID:CID_9238, ChEMBL:CHEMBL1230831, ChEBI:CHEBI:40519, ZINC:ZINC000001271109, FDASRS:PJY633525U, SureChEMBL:SCHEMBL12761, MolPort-001-766-730

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Chemical structure information

SMILES:
C1C2CC3CC1CC(C2)C3

InChI:
InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2

InChIKey:
ORILYTVJVMAKLC-UHFFFAOYSA-N

DeepSMILES:
CCCCCC6CCC8)C6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph/Node level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph level:
C1C2CC3CC1CC(C2)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP-Likeness score: -0.056

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Chemical structure download