Molecule

ID:96397

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉F₃O₂S
Molecular Mass
286.2695696
Exact Mass
286.02753519
Charge
0
InChI
InChI=1S/C13H9F3O2S/c1-18-12(17)10-7-9(8-5-3-2-4-6-8)11(19-10)13(14,15)16/h2-7H,1H3
InChIKey
RDMSDMSSVFMCKQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(c(c1)c1ccccc1)C(F)(F)F
Isomeric Smiles
s1c(cc(c1C(F)(F)F)c1ccccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.547117
LogD (pH = 7.4)
4.547117
Log P
4.547117
Molar Refractivity
65.8672
Polarizability
25.463406
Polar Surface Area
26.3
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