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IMPPAT Phytochemical information:
Hexadecanehydrazide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015877
Phytochemical name:
Hexadecanehydrazide
Synonymous chemical names:
palmitic acid hydrazide
External chemical identifiers:
CID:225536
,
ZINC:ZINC000059895299
,
SureChEMBL:SCHEMBL765585
,
MolPort-002-507-720
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCC(=O)NN
InChI:
InChI=1S/C16H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)18-17/h2-15,17H2,1H3,(H,18,19)
InChIKey:
SSVSELJXJJCANX-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCC=O)NN
Functional groups:
CC(=O)NN
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic acids and derivatives
ClassyFire Class:
Carboxylic acids and derivatives
ClassyFire Subclass:
Carboxylic acid derivatives
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty amides
NP Classifier Class:
Primary amides
NP-Likeness score:
-0.307
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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