Molecule

ID:110039

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₃
Molecular Mass
104.10452
Exact Mass
104.04734412
Charge
0
InChI
InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3
InChIKey
LPEKGGXMPWTOCB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(O)C
Isomeric Smiles
COC(=O)C(C)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.33
LogD (pH = 5.5)
-0.33
Log P
-0.33
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
13.00
Polar Surface Area
46.53
Polarizability
10.14
Molar Refractivity
23.61
LOG S
0.15
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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