Molecule

ID:20212

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃F₃N₂O₂
Molecular Mass
310.2711296
Exact Mass
310.09291233
Charge
0
InChI
InChI=1S/C15H13F3N2O2/c1-9(21)20-11-3-2-4-12(8-11)22-14-6-5-10(19)7-13(14)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKey
HZMMLLANDZYNCF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)Oc1ccc(cc1C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(Oc2cc(NC(=O)C)ccc2)ccc(c1)N
Calculated Properties
JChem
Acid pKa
13.915027
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7565305
LogD (pH = 7.4)
2.76012
Log P
2.760166
Molar Refractivity
77.8359
Polarizability
27.784111
Polar Surface Area
64.35
Rotatable Bonds
4
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