Molecule

ID:1956

General Information
Structure
MolImage
Molecular Formula
C₃H₂O₄--
Molecular Mass
102.04558
Exact Mass
101.99530854
Charge
-2
InChI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
InChIKey
OFOBLEOULBTSOW-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)CC(=O)[O-]
Isomeric Smiles
[O-]C(=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
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.43
Polar Surface Area
80.26
Polarizability
7.36
Molar Refractivity
40.66
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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