Molecule
ID:72028
General Information
Molecular Formula
C₆H₁₂O₃
Molecular Mass
132.15768
Exact Mass
132.07864424
Charge
0
InChI
InChI=1S/C6H12O3/c1-4-9-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
InChIKey
ZCGZOPIPEZCKKQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(C(=O)O)(C)C
Isomeric Smiles
O=C(O)C(OCC)(C)C
Calculated Properties
JChem
Acid pKa
4.2125344
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.34595913
LogD (pH = 7.4)
-2.064018
Log P
0.9608708
Molar Refractivity
33.0529
Polarizability
13.042427
Polar Surface Area
46.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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