Molecule

ID:90378

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₃
Molecular Mass
104.10452
Exact Mass
104.04734412
Charge
0
InChI
InChI=1S/C4H8O3/c1-6-4(3-5)7-2/h3-4H,1-2H3
InChIKey
OGFKTAMJLKHRAZ-UHFFFAOYSA-N
Canonic Smiles
COC(C=O)OC
Isomeric Smiles
O=CC(OC)OC
Calculated Properties
JChem
Acid pKa
18.877563
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.2016967
LogD (pH = 7.4)
-0.2016967
Log P
-0.2016967
Molar Refractivity
24.1213
Polarizability
9.64128
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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