Molecule

ID:12879

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₂O₂S₂
Molecular Mass
285.17074
Exact Mass
283.9247748
Charge
0
InChI
InChI=1S/C7H5ClN2O2S2.ClH/c1-4-2-3-5-6(10-13-9-5)7(4)14(8,11)12;/h2-3H,1H3;1H
InChIKey
MPTNWEHZPWASLC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1S(=O)(=O)Cl)nsn2.Cl
Isomeric Smiles
c1c2c(c(c(c1)C)S(=O)(=O)Cl)nsn2.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5765994
LogD (pH = 7.4)
2.5765994
Log P
2.5765994
Molar Refractivity
55.7758
Polarizability
22.699596
Polar Surface Area
59.92
Rotatable Bonds
1
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