Molecule

ID:77857

General Information
Structure
MolImage
Molecular Formula
C₅H₇KO₄
Molecular Mass
170.20498
Exact Mass
169.99814038
Charge
0
InChI
InChI=1S/C5H8O4.K/c1-2-9-5(8)3-4(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1
InChIKey
WVUCPRGADMCTBN-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)CC(=O)OCC.[K+]
Isomeric Smiles
O(CC)C(=O)CC(=O)[O-].[K+]
Calculated Properties
JChem
Acid pKa
3.917031
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.4176992
LogD (pH = 7.4)
-3.0331244
Log P
0.17158474
Molar Refractivity
39.3426
Polarizability
11.2780695
Polar Surface Area
66.43
Rotatable Bonds
4
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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