Molecule

ID:34434

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClF₃O₂S
Molecular Mass
284.6825296
Exact Mass
283.98856284
Charge
0
InChI
InChI=1S/C10H8ClF3O2S/c1-16-9(15)5-17-8-3-2-6(4-7(8)11)10(12,13)14/h2-4H,5H2,1H3
InChIKey
YAFRLGRUPRZXAM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CSc1ccc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1c(c(ccc1C(F)(F)F)SCC(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3958995
LogD (pH = 7.4)
3.3958995
Log P
3.3958995
Molar Refractivity
60.5967
Polarizability
22.873549
Polar Surface Area
26.3
Rotatable Bonds
5
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