Molecule

ID:35926

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FO₂
Molecular Mass
194.2022432
Exact Mass
194.07430781
Charge
0
InChI
InChI=1S/C11H11FO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+
InChIKey
UNAXNPTZJKKUGO-VMPITWQZSA-N
Canonic Smiles
CCOC(=O)/C=C/c1ccc(cc1)F
Isomeric Smiles
C(=C\c1ccc(F)cc1)/C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0148234
LogD (pH = 7.4)
3.0148234
Log P
3.0148234
Molar Refractivity
52.794
Polarizability
19.79719
Polar Surface Area
26.3
Rotatable Bonds
4
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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