Molecule

ID:1932

General Information
Structure
MolImage
Molecular Formula
C₃H₄O₄
Molecular Mass
104.06146
Exact Mass
104.01095861
Charge
0
InChI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
InChIKey
OFOBLEOULBTSOW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(=O)O
Isomeric Smiles
OC(=O)CC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.34
LogD (pH = 5.5)
-3.41
Log P
-0.33
Rotatable Bonds
2
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.43
Polar Surface Area
74.60
Polarizability
8.17
Molar Refractivity
18.99
LOG S
0.57
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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