Molecule

ID:95462

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃FO
Molecular Mass
238.3409232
Exact Mass
238.17329358
Charge
0
InChI
InChI=1S/C15H23FO/c1-11(2)10-14(3,4)15(5,17)12-7-6-8-13(16)9-12/h6-9,11,17H,10H2,1-5H3
InChIKey
WVHFVFPSAPKFIM-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(c1cccc(c1)F)(O)C)(C)C)C
Isomeric Smiles
OC(c1cc(ccc1)F)(C(CC(C)C)(C)C)C
Calculated Properties
JChem
Acid pKa
13.8167095
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.487402
LogD (pH = 7.4)
4.487402
Log P
4.487402
Molar Refractivity
69.2916
Polarizability
27.163109
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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