Molecule
ID:96457
General Information
Molecular Formula
C₁₆H₁₃F₅O
Molecular Mass
316.265836
Exact Mass
316.08865614
Charge
0
InChI
InChI=1S/C16H13F5O/c17-13-7-6-12(14(18)9-13)10-22-15(16(19,20)21)8-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2
InChIKey
JULMQQKVVFUMGD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)COC(C(F)(F)F)Cc1ccccc1
Isomeric Smiles
O(C(C(F)(F)F)Cc1ccccc1)Cc1c(cc(cc1)F)F
Calculated Properties
JChem
Acid pKa
18.175682
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.162424
LogD (pH = 7.4)
5.162424
Log P
5.162424
Molar Refractivity
72.5458
Polarizability
26.64108
Polar Surface Area
9.23
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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