Molecule

ID:112626

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₃
Molecular Mass
118.1311
Exact Mass
118.06299418
Charge
0
InChI
InChI=1S/C5H10O3/c1-4(2)8-5(7)3-6/h4,6H,3H2,1-2H3
InChIKey
AZKIQQBSVTWCGY-UHFFFAOYSA-N
Canonic Smiles
OCC(=O)OC(C)C
Isomeric Smiles
CC(C)OC(=O)CO
Calculated Properties
JChem
Acid pKa
13.1271925
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.12131674
LogD (pH = 7.4)
-0.121317536
Log P
-0.12131672
Molar Refractivity
28.2824
Polarizability
11.390625
Polar Surface Area
46.53
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
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References
Bioactivity
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