Molecule

ID:129441

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₅F₂NO
Molecular Mass
323.3360064
Exact Mass
323.11217055
Charge
0
InChI
InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
InChIKey
SCTZUZTYRMOMKT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(c1ccc(cc1)F)(c1ccccc1)C(=O)N
Isomeric Smiles
c1ccc(cc1)C(c1ccc(cc1)F)(c1ccc(cc1)F)C(=O)N
Calculated Properties
JChem
Acid pKa
14.57396
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4560637
LogD (pH = 7.4)
4.4560637
Log P
4.4560637
Molar Refractivity
89.7642
Polarizability
33.70029
Polar Surface Area
43.09
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation