Molecule

ID:134439

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₃
Molecular Mass
104.10452
Exact Mass
104.04734412
Charge
0
InChI
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
WHBMMWSBFZVSSR-VKHMYHEASA-N
Canonic Smiles
C[C@@H](CC(=O)O)O
Isomeric Smiles
C[C@@H](CC(=O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.27
LogD (pH = 5.5)
-1.51
Log P
-0.39
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.41
Polar Surface Area
57.53
Polarizability
9.96
Molar Refractivity
23.46
LOG S
0.45
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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