Molecule

ID:136306

General Information
Structure
MolImage
Molecular Formula
C₆H₈O₄
Molecular Mass
144.12532
Exact Mass
144.04225874
Charge
0
InChI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKey
LDCRTTXIJACKKU-ONEGZZNKSA-N
Canonic Smiles
COC(=O)C=CC(=O)OC
Isomeric Smiles
C(=CC(=O)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.71754044
LogD (pH = 7.4)
0.71754044
Log P
0.71754044
Molar Refractivity
34.1452
Polarizability
13.178893
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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