Molecule

ID:66938

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClF₃NO₂
Molecular Mass
319.7067296
Exact Mass
319.058691
Charge
0
InChI
InChI=1S/C14H13ClF3NO2/c1-13(2,3)21-12(20)19-5-4-8-6-10(15)9(7-11(8)19)14(16,17)18/h4-7H,1-3H3
InChIKey
AJNOEIVXKKDODB-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2ccn(c2cc1C(F)(F)F)C(=O)OC(C)(C)C
Isomeric Smiles
n1(ccc2cc(c(cc12)C(F)(F)F)Cl)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.546961
LogD (pH = 7.4)
4.546961
Log P
4.546961
Molar Refractivity
72.6225
Polarizability
28.479223
Polar Surface Area
31.23
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