Molecule

ID:74463

General Information
Structure
MolImage
Molecular Formula
C₄HKO₄
Molecular Mass
152.14664
Exact Mass
151.95119019
Charge
0
InChI
InChI=1S/C4H2O4.K/c5-3(6)1-2-4(7)8;/h(H,5,6)(H,7,8);/q;+1/p-1
InChIKey
KLLYWRUTRAFSJT-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C#CC(=O)O.[K+]
Isomeric Smiles
O=C(O)C#CC(=O)[O-].[K+]
Calculated Properties
JChem
Acid pKa
1.130646
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-6.2494073
LogD (pH = 7.4)
-6.8348203
Log P
0.21009243
Molar Refractivity
33.8391
Polarizability
8.22776
Polar Surface Area
77.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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