Molecule

ID:97087

General Information
Structure
Molecular Formula
C₁₅H₁₁FO
Molecular Mass
226.2456432
Exact Mass
226.07939319
Charge
0
InChI
InChI=1S/C15H11FO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H
InChIKey
VKNQSJQWRINEFS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)/C=C/c1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1)F)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
16.959133
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.033027
LogD (pH = 7.4)
4.033027
Log P
4.033027
Molar Refractivity
67.0934
Polarizability
24.979809
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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