Molecule

ID:9880

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃OS
Molecular Mass
220.2114896
Exact Mass
220.0169705
Charge
0
InChI
InChI=1S/C9H7F3OS/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5H,1H3
InChIKey
UKKYMJZZMADIAV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc(c1)SC(F)(F)F
Isomeric Smiles
c1cc(cc(c1)C(=O)C)SC(F)(F)F
Calculated Properties
JChem
Acid pKa
15.9378
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4996195
LogD (pH = 7.4)
3.4996195
Log P
3.4996195
Molar Refractivity
49.4463
Polarizability
18.301884
Polar Surface Area
17.07
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