Molecule

ID:100385

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FO₂
Molecular Mass
196.2181232
Exact Mass
196.08995788
Charge
0
InChI
InChI=1S/C11H13FO2/c1-7(2)14-9-4-5-10(8(3)13)11(12)6-9/h4-7H,1-3H3
InChIKey
BONIEVGIZDNAQY-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(c(c1)F)C(=O)C)C
Isomeric Smiles
O=C(c1c(cc(cc1)OC(C)C)F)C
Calculated Properties
JChem
Acid pKa
15.47038
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2893069
LogD (pH = 7.4)
2.2893069
Log P
2.2893069
Molar Refractivity
52.3078
Polarizability
19.939926
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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