Molecule

ID:81340

General Information
Structure
MolImage
Molecular Formula
C₄Cl₃NO₄S₂
Molecular Mass
296.5361
Exact Mass
294.83343253
Charge
0
InChI
InChI=1S/C4Cl3NO4S2/c5-3-1(8(9)10)2(4(6)13-3)14(7,11)12
InChIKey
RKORQLAKLUIWLQ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(Cl)sc(c1S(=O)(=O)Cl)Cl
Isomeric Smiles
S(=O)(=O)(c1c(sc(c1[N+](=O)[O-])Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1800563
LogD (pH = 7.4)
3.1800563
Log P
3.1800563
Molar Refractivity
52.6121
Polarizability
21.538418
Polar Surface Area
79.96
Rotatable Bonds
2
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