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IMPPAT Phytochemical information:
Potassium butanedioate
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY005707
Phytochemical name:
Potassium butanedioate
Synonymous chemical names:
potasium-succinate, potassium-succinate
External chemical identifiers:
CID:21902456
Chemical structure information
SMILES:
[O-]C(=O)CCC(=O)[O-].[K+]
InChI:
InChI=1S/C4H6O4.K/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+1/p-2
InChIKey:
PWARIDJUMWYDTK-UHFFFAOYSA-L
DeepSMILES:
[O-]C=O)CCC=O)[O-].[K+]
Functional groups:
CC(=O)[O-], [K+]
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic acids and derivatives
ClassyFire Class:
Carboxylic acids and derivatives
ClassyFire Subclass:
Dicarboxylic acids and derivatives
NP-Likeness score:
-0.163
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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