Molecule

ID:110376

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O₃
Molecular Mass
196.24294
Exact Mass
196.10994437
Charge
0
InChI
InChI=1S/C11H16O3/c1-4-14-11(13)10-7(2)5-9(12)6-8(10)3/h5,8,10H,4,6H2,1-3H3
InChIKey
FMQHLVMBLLFWPK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1C(C)CC(=O)C=C1C
Isomeric Smiles
CCOC(=O)C1C(C)CC(=O)C=C1C
Calculated Properties
JChem
Acid pKa
17.717775
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.975178
LogD (pH = 7.4)
1.975178
Log P
1.7418447
Molar Refractivity
53.9289
Polarizability
20.86801
Polar Surface Area
43.37
Rotatable Bonds
3
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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