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IMPPAT Phytochemical information:
Potassium hydrogen oxalate
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY003014
Phytochemical name:
Potassium hydrogen oxalate
Synonymous chemical names:
potassium binoxalate, potassium hydrogen oxalate
External chemical identifiers:
CID:23662386
,
FDASRS:L3W2519LG2
,
SureChEMBL:SCHEMBL106862
,
MolPort-023-221-593
Chemical structure information
SMILES:
OC(=O)C(=O)[O-].[K+]
InChI:
InChI=1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1
InChIKey:
JMTCDHVHZSGGJA-UHFFFAOYSA-M
DeepSMILES:
OC=O)C=O)[O-].[K+]
Functional groups:
O=C([O-])C(=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:
0.221
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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