Molecule

ID:96475

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃OS
Molecular Mass
208.2007896
Exact Mass
208.0169705
Charge
0
InChI
InChI=1S/C8H7F3OS/c1-13-7-5-3-2-4-6(7)12-8(9,10)11/h2-5H,1H3
InChIKey
BCFJOHXNQBSTPQ-UHFFFAOYSA-N
Canonic Smiles
CSc1ccccc1OC(F)(F)F
Isomeric Smiles
O(c1c(cccc1)SC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0325747
LogD (pH = 7.4)
4.0325747
Log P
4.0325747
Molar Refractivity
41.8872
Polarizability
17.091671
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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