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IMPPAT Phytochemical information:
4-Methylnonacosane
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY005694
Phytochemical name:
4-Methylnonacosane
Synonymous chemical names:
4-methylnonacosane, nonacosane, 4-methyl
External chemical identifiers:
CID:22223831
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(CCC)C
InChI:
InChI=1S/C30H62/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30(3)28-5-2/h30H,4-29H2,1-3H3
InChIKey:
INYZHMFILKJYAJ-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)))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:
0.382
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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