Molecule

ID:88374

General Information
Structure
MolImage
Molecular Formula
C₄H₇KO₁₀
Molecular Mass
254.19068
Exact Mass
253.9676281
Charge
0
InChI
InChI=1S/2C2H2O4.K.2H2O/c2*3-1(4)2(5)6;;;/h2*(H,3,4)(H,5,6);;2*1H2/q;;+1;;/p-1
InChIKey
KPFHSTZUXXJAES-UHFFFAOYSA-M
Canonic Smiles
OC(=O)C(=O)O.[O-]C(=O)C(=O)O.O.O.[K+]
Isomeric Smiles
OC(=O)C(=O)O.O=C(C(=O)O)[O-].O.O.[K+]
Calculated Properties
JChem
Acid pKa
1.3639908
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.101814
LogD (pH = 7.4)
-6.8848467
Log P
-0.26375157
Molar Refractivity
14.4386
Polarizability
5.8697963
Polar Surface Area
74.6
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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