IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
1-Fluorododecane
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015182
Phytochemical name:
1-Fluorododecane
Synonymous chemical names:
1-fluorododecane
External chemical identifiers:
CID:9548
,
ZINC:ZINC000002040783
,
SureChEMBL:SCHEMBL318325
Chemical structure information
SMILES:
CCCCCCCCCCCCF
InChI:
InChI=1S/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKey:
YHYBNVZCQIDLSQ-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCF
Functional groups:
CF
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organohalogen compounds
ClassyFire Class:
Organofluorides
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
-0.089
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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