Molecule

ID:96455

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅F₃O
Molecular Mass
280.2849096
Exact Mass
280.10749976
Charge
0
InChI
InChI=1S/C16H15F3O/c17-16(18,19)15(11-13-7-3-1-4-8-13)20-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKey
MGLKRANNJCKOGD-UHFFFAOYSA-N
Canonic Smiles
FC(C(Cc1ccccc1)OCc1ccccc1)(F)F
Isomeric Smiles
O(C(C(F)(F)F)Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
18.175724
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8770204
LogD (pH = 7.4)
4.8770204
Log P
4.8770204
Molar Refractivity
72.113
Polarizability
27.039255
Polar Surface Area
9.23
Rotatable Bonds
6
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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