Molecule

ID:94869

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FO
Molecular Mass
258.3305632
Exact Mass
258.14199345
Charge
0
InChI
InChI=1S/C17H19FO/c1-17(2,3)14-9-7-12(8-10-14)16(19)13-5-4-6-15(18)11-13/h4-11,16,19H,1-3H3
InChIKey
OBDGMXGLYZEIRU-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(c1ccc(cc1)C(C)(C)C)O
Isomeric Smiles
OC(c1cc(ccc1)F)c1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
13.649532
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.6778946
LogD (pH = 7.4)
4.677894
Log P
4.6778946
Molar Refractivity
76.039
Polarizability
29.310614
Polar Surface Area
20.23
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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