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IMPPAT Phytochemical information:
10-Methylnonadecane
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015133
Phytochemical name:
10-Methylnonadecane
Synonymous chemical names:
10-methylnonadecane
External chemical identifiers:
CID:530070
,
ZINC:ZINC000103600935
,
SureChEMBL:SCHEMBL2991391
Chemical structure information
SMILES:
CCCCCCCCCC(CCCCCCCCC)C
InChI:
InChI=1S/C20H42/c1-4-6-8-10-12-14-16-18-20(3)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3
InChIKey:
MIKKTERVKUURCM-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCC)))))))))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:
0.488
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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