Molecule

ID:98423

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃FO
Molecular Mass
168.2080232
Exact Mass
168.09504326
Charge
0
InChI
InChI=1S/C10H13FO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKey
DWRIANGNJXQAAT-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)F)(O)C
Isomeric Smiles
OC(Cc1ccc(cc1)F)(C)C
Calculated Properties
JChem
Acid pKa
15.288106
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.334411
LogD (pH = 7.4)
2.334411
Log P
2.334411
Molar Refractivity
46.9023
Polarizability
17.888119
Polar Surface Area
20.23
Rotatable Bonds
2
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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