Molecule

ID:87217

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀O₃
Molecular Mass
106.1204
Exact Mass
106.06299418
Charge
0
InChI
InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3
InChIKey
PSJBSUHYCGQTHZ-UHFFFAOYSA-N
Canonic Smiles
COCC(CO)O
Isomeric Smiles
O(CC(CO)O)C
Calculated Properties
JChem
Acid pKa
13.642176
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1958876
LogD (pH = 7.4)
-1.1958878
Log P
-1.1958876
Molar Refractivity
25.2673
Polarizability
10.107258
Polar Surface Area
49.69
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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