Molecule

ID:41546

General Information
Structure
Molecular Formula
C₁₃H₁₀F₃NO₂S
Molecular Mass
301.2842096
Exact Mass
301.03843423
Charge
0
InChI
InChI=1S/C13H10F3NO2S/c1-2-19-12(18)10-7-20-11(17-10)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3
InChIKey
SCZAGGBIOXLKPW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1c(ccc(c1)c1scc(n1)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0807915
LogD (pH = 7.4)
4.0807924
Log P
4.0807924
Molar Refractivity
78.7436
Polarizability
25.851543
Polar Surface Area
39.19
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