Molecule

ID:42300

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c1-14-10(12)7-8-5-3-4-6-9(8)11(13)15-2/h3-6H,7H2,1-2H3
InChIKey
ROMWRJNZSHFGEK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccccc1C(=O)OC
Isomeric Smiles
C(=O)(c1c(CC(=O)OC)cccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7603651
LogD (pH = 7.4)
1.7603651
Log P
1.7603651
Molar Refractivity
54.16
Polarizability
21.062574
Polar Surface Area
52.6
Rotatable Bonds
5
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
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References
Bioactivity
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