Molecule

ID:93964

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁F₃O
Molecular Mass
264.2424496
Exact Mass
264.07619963
Charge
0
InChI
InChI=1S/C15H11F3O/c1-10(19)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(16,17)18/h2-9H,1H3
InChIKey
KUXRGLGGGFFFGQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
FC(c1ccc(cc1)c1ccc(cc1)C(=O)C)(F)F
Calculated Properties
JChem
Acid pKa
16.091284
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0559673
LogD (pH = 7.4)
4.0559673
Log P
4.0559673
Molar Refractivity
67.5707
Polarizability
25.928394
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation