Molecule

ID:78495

General Information
Structure
MolImage
Molecular Formula
C₆H₆O₄
Molecular Mass
142.10944
Exact Mass
142.02660867
Charge
0
InChI
InChI=1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3
InChIKey
VHILMKFSCRWWIJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C#CC(=O)OC
Isomeric Smiles
O(C(=O)C#CC(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9685472
LogD (pH = 7.4)
0.9685472
Log P
0.9685472
Molar Refractivity
32.5402
Polarizability
12.367345
Polar Surface Area
52.6
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
No Data Available
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Molecule Details
References
Bioactivity
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