Molecule

ID:95249

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇FO
Molecular Mass
268.3253832
Exact Mass
268.12634338
Charge
0
InChI
InChI=1S/C18H17FO/c1-13(2)15-6-3-14(4-7-15)5-12-18(20)16-8-10-17(19)11-9-16/h3-13H,1-2H3
InChIKey
NGTYCIGSOLIIRF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)C(C)C
Isomeric Smiles
O=C(c1ccc(cc1)F)/C=C/c1ccc(cc1)C(C)C
Calculated Properties
JChem
Acid pKa
17.063284
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2780366
LogD (pH = 7.4)
5.2780366
Log P
5.2780366
Molar Refractivity
81.2842
Polarizability
30.4318
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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