Molecule

ID:102431

General Information
Structure
Molecular Formula
C₄H₁₀O₄
Molecular Mass
122.1198
Exact Mass
122.0579088
Charge
0
InChI
InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2
InChIKey
UNXHWFMMPAWVPI-UHFFFAOYSA-N
Canonic Smiles
OCC(C(CO)O)O
Isomeric Smiles
OCC(O)C(O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-2.47
LogD (pH = 5.5)
-2.47
Log P
-2.47
Rotatable Bonds
3
H Donor
4
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
13.04
Polar Surface Area
80.92
Polarizability
11.71
Molar Refractivity
26.48
LOG S
1.12
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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