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IMPPAT Phytochemical information:
2-Methylnorbornane
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016532
Phytochemical name:
2-Methylnorbornane
Synonymous chemical names:
bicyclo[2,2,1]heptane 2-methyl-
External chemical identifiers:
CID:136674
,
SureChEMBL:SCHEMBL429456
Chemical structure information
SMILES:
CC1CC2CC1CC2
InChI:
InChI=1S/C8H14/c1-6-4-7-2-3-8(6)5-7/h6-8H,2-5H2,1H3
InChIKey:
KWSARSUDWPZTFF-UHFFFAOYSA-N
DeepSMILES:
CCCCCC5CC5
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CC2CCC1C2
Scaffold Graph/Node level:
C1CC2CCC1C2
Scaffold Graph level:
C1CC2CCC1C2
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Monoterpenoids
NP-Likeness score:
0.872
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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