Molecule

ID:96066

General Information
Structure
Molecular Formula
C₁₀H₃ClF₆N₂S
Molecular Mass
332.6526392
Exact Mass
331.96096611
Charge
0
InChI
InChI=1S/C10H3ClF6N2S/c11-8-18-7(19-20-8)4-1-5(9(12,13)14)3-6(2-4)10(15,16)17/h1-3H
InChIKey
UOZJPNRTFVDINU-UHFFFAOYSA-N
Canonic Smiles
Clc1snc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
n1c(snc1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.2115245
LogD (pH = 7.4)
5.211525
Log P
5.211525
Molar Refractivity
73.4641
Polarizability
22.45772
Polar Surface Area
25.78
Rotatable Bonds
3
Lipinski's Rule of Five
false
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