Molecule

ID:94864

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆F₂O
Molecular Mass
274.3051464
Exact Mass
274.11692157
Charge
0
InChI
InChI=1S/C17H16F2O/c1-2-3-4-12-5-7-13(8-6-12)17(20)14-9-10-15(18)16(19)11-14/h5-11H,2-4H2,1H3
InChIKey
PRQKSSOAHRWKSW-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)C(=O)c1ccc(c(c1)F)F
Isomeric Smiles
O=C(c1cc(c(cc1)F)F)c1ccc(cc1)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.56513
LogD (pH = 7.4)
5.56513
Log P
5.56513
Molar Refractivity
75.9105
Polarizability
28.56958
Polar Surface Area
17.07
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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