Molecule

ID:95891

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃N₂S
Molecular Mass
232.2254896
Exact Mass
232.02820389
Charge
0
InChI
InChI=1S/C9H7F3N2S/c1-14-8(9(10,11)12)5-6(13-14)7-3-2-4-15-7/h2-5H,1H3
InChIKey
XFKJHEOGGKXEHH-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1C(F)(F)F)c1cccs1
Isomeric Smiles
n1(c(cc(n1)c1cccs1)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0091698
LogD (pH = 7.4)
3.009179
Log P
3.009179
Molar Refractivity
62.4667
Polarizability
19.65246
Polar Surface Area
17.82
Rotatable Bonds
2
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