Molecule

ID:102881

General Information
Structure
MolImage
Molecular Formula
C₂H₄O₄
Molecular Mass
92.05076
Exact Mass
92.01095861
Charge
0
InChI
InChI=1S/C2H2O3.H2O/c3-1-2(4)5;/h1H,(H,4,5);1H2
InChIKey
MOOYVEVEDVVKGD-UHFFFAOYSA-N
Canonic Smiles
O=CC(=O)O.O
Isomeric Smiles
O.OC(=O)C=O
Calculated Properties
JChem
Acid pKa
2.6053126
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9385595
LogD (pH = 7.4)
-3.6401994
Log P
-0.13367504
Molar Refractivity
13.5
Polarizability
5.255616
Polar Surface Area
54.37
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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