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IMPPAT Phytochemical information:
2-Methyloctadecane
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY012150
Phytochemical name:
2-Methyloctadecane
Synonymous chemical names:
2-methyl octadecane, 2-methyl-octadecane, 2-methyloctadecane
External chemical identifiers:
CID:15264
,
ZINC:ZINC000100104885
,
SureChEMBL:SCHEMBL2449284
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCC(C)C
InChI:
InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3
InChIKey:
KVQVGSDBGJXNGV-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCC)C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Saturated hydrocarbons
ClassyFire Subclass:
Alkanes
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
0.351
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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