Molecule

ID:112722

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c1-2-11(12)13-6-8-3-4-9-10(5-8)15-7-14-9/h3-5H,2,6-7H2,1H3
InChIKey
FVRCUNZJSLRIKU-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OCc1ccc2c(c1)OCO2
Isomeric Smiles
CCC(=O)OCc1ccc2OCOc2c1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9707907
LogD (pH = 7.4)
1.9707907
Log P
1.9707907
Molar Refractivity
52.4192
Polarizability
20.95046
Polar Surface Area
44.76
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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