Molecule

ID:121191

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂O₄S
Molecular Mass
248.6436
Exact Mass
247.96585533
Charge
0
InChI
InChI=1S/C7H5ClN2O4S/c1-4-9-10-7(13-4)5-2-3-6(14-5)15(8,11)12/h2-3H,1H3
InChIKey
XIKKCLDCCYFSLO-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(o1)c1ccc(o1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1oc(c2nnc(o2)C)cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.19836116
LogD (pH = 7.4)
0.1983612
Log P
0.1983612
Molar Refractivity
62.3643
Polarizability
20.697683
Polar Surface Area
86.2
Rotatable Bonds
2
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