Molecule

ID:29709

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₃NO₂
Molecular Mass
233.1871096
Exact Mass
233.06636323
Charge
0
InChI
InChI=1S/C10H10F3NO2/c1-3-16-9(15)7-4-5-8(10(11,12)13)14-6(7)2/h4-5H,3H2,1-2H3
InChIKey
VWUMOTRXCZMICA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(nc1C)C(F)(F)F
Isomeric Smiles
C(=O)(c1ccc(nc1C)C(F)(F)F)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5109222
LogD (pH = 7.4)
2.5109272
Log P
2.5109272
Molar Refractivity
50.8682
Polarizability
18.76259
Polar Surface Area
39.19
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