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IMPPAT Phytochemical information:
2-Nonanone oxime
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017526
Phytochemical name:
2-Nonanone oxime
Synonymous chemical names:
2-nonanone oxime
External chemical identifiers:
CID:58526736
,
SureChEMBL:SCHEMBL17988297
Chemical structure information
SMILES:
CCCCCCC/C(=NO)/C
InChI:
InChI=1S/C9H19NO/c1-3-4-5-6-7-8-9(2)10-11/h11H,3-8H2,1-2H3/b10-9-
InChIKey:
HHONKRXRGXJUCW-KTKRTIGZSA-N
DeepSMILES:
CCCCCCC/C=NO))/C
Functional groups:
C/C(C)=NO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic nitrogen compounds
ClassyFire Class:
Organonitrogen compounds
ClassyFire Subclass:
Oximes
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
0.406
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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