Molecule

ID:2458

General Information
Structure
MolImage
Molecular Formula
C₂O₄--
Molecular Mass
88.019
Exact Mass
87.97965848
Charge
-2
InChI
InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKey
MUBZPKHOEPUJKR-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)C(=O)[O-]
Isomeric Smiles
[O-]C(=O)C(=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
-6.88
LogD (pH = 5.5)
-5.10
Log P
-0.26
Rotatable Bonds
1
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.36
Polar Surface Area
80.26
Polarizability
5.46
Molar Refractivity
36.11
LOG S
0.38
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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