Molecule

ID:100073

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃FO₂
Molecular Mass
266.3510232
Exact Mass
266.1682082
Charge
0
InChI
InChI=1S/C16H23FO2/c1-3-4-5-6-7-8-11-19-14-9-10-15(13(2)18)16(17)12-14/h9-10,12H,3-8,11H2,1-2H3
InChIKey
YADHYLAWFKTTCV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOc1ccc(c(c1)F)C(=O)C
Isomeric Smiles
O=C(c1c(cc(cc1)OCCCCCCCC)F)C
Calculated Properties
JChem
Acid pKa
15.473241
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.618098
LogD (pH = 7.4)
4.618098
Log P
4.618098
Molar Refractivity
75.418
Polarizability
29.122778
Polar Surface Area
26.3
Rotatable Bonds
9
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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