Molecule

ID:75131

General Information
Structure
MolImage
Molecular Formula
C₆H₈O₄
Molecular Mass
144.12532
Exact Mass
144.04225874
Charge
0
InChI
InChI=1S/C6H8O4/c1-4(6(8)9)3-5(7)10-2/h1,3H2,2H3,(H,8,9)
InChIKey
OIYTYGOUZOARSH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=C)C(=O)O
Isomeric Smiles
O(C(=O)CC(=C)C(=O)O)C
Calculated Properties
JChem
Acid pKa
4.188682
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.130684
LogD (pH = 7.4)
-2.8424067
Log P
0.19871874
Molar Refractivity
32.684
Polarizability
12.94673
Polar Surface Area
63.6
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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