Molecule

ID:19767

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₃NO₂
Molecular Mass
297.2723696
Exact Mass
297.09766335
Charge
0
InChI
InChI=1S/C15H14F3NO2/c1-2-20-11-4-6-12(7-5-11)21-14-8-3-10(9-13(14)19)15(16,17)18/h3-9H,2,19H2,1H3
InChIKey
DICIENBIINLPFI-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)Oc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
C(c1cc(c(Oc2ccc(cc2)OCC)cc1)N)(F)(F)F
Calculated Properties
JChem
Acid pKa
19.858875
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7214298
LogD (pH = 7.4)
3.7215903
Log P
3.7215922
Molar Refractivity
74.1847
Polarizability
27.215143
Polar Surface Area
44.48
Rotatable Bonds
5
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