Molecule

ID:41973

General Information
Structure
Molecular Formula
C₁₀H₁₀F₃NO₂
Molecular Mass
233.1871096
Exact Mass
233.06636323
Charge
0
InChI
InChI=1S/C10H10F3NO2/c1-14(16-2)9(15)7-4-3-5-8(6-7)10(11,12)13/h3-6H,1-2H3
InChIKey
PAXXRRIUUCZPEU-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1cccc(c1)C(F)(F)F)C
Isomeric Smiles
c1ccc(cc1C(=O)N(C)OC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3001897
LogD (pH = 7.4)
2.3001897
Log P
2.3001897
Molar Refractivity
52.2537
Polarizability
18.822897
Polar Surface Area
29.54
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