Molecule

ID:64396

General Information
Structure
MolImage
Molecular Formula
C₄H₂O₄
Molecular Mass
114.05628
Exact Mass
113.99530854
Charge
0
InChI
InChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H
InChIKey
PWEBUXCTKOWPCW-UHFFFAOYSA-N
Canonic Smiles
OC1=C(O)C(=O)C1=O
Isomeric Smiles
C1(=C(C(=O)C1=O)O)O
Calculated Properties
JChem
Acid pKa
5.263894
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.67075264
LogD (pH = 7.4)
-2.3581705
Log P
-0.23603879
Molar Refractivity
24.7952
Polarizability
8.76262
Polar Surface Area
74.6
Rotatable Bonds
0
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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