Molecule

ID:70571

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₃
Molecular Mass
132.15768
Exact Mass
132.07864424
Charge
0
InChI
InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
InChIKey
OMSUIQOIVADKIM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(O)C
Isomeric Smiles
C(=O)(CC(C)O)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
0.12
LogD (pH = 5.5)
0.12
Log P
0.12
Rotatable Bonds
4
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
15.41
Polar Surface Area
46.53
Polarizability
13.97
Molar Refractivity
32.98
LOG S
-0.14
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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