Molecule

ID:100384

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FO₂
Molecular Mass
196.2181232
Exact Mass
196.08995788
Charge
0
InChI
InChI=1S/C11H13FO2/c1-3-6-14-9-4-5-10(8(2)13)11(12)7-9/h4-5,7H,3,6H2,1-2H3
InChIKey
ANTYCKNRZZEQGV-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(c(c1)F)C(=O)C
Isomeric Smiles
O=C(c1c(cc(cc1)OCCC)F)C
Calculated Properties
JChem
Acid pKa
15.473252
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3952544
LogD (pH = 7.4)
2.3952544
Log P
2.3952544
Molar Refractivity
52.413
Polarizability
19.940063
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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