Molecule

ID:107298

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₃
Molecular Mass
132.15768
Exact Mass
132.07864424
Charge
0
InChI
InChI=1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3
InChIKey
SWAXTRYEYUTSAP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OOC(C)(C)C
Isomeric Smiles
CC(=O)OOC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1276109
LogD (pH = 7.4)
1.1276109
Log P
1.1276109
Molar Refractivity
32.5686
Polarizability
13.281858
Polar Surface Area
35.53
Rotatable Bonds
3
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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