Molecule

ID:19269

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O₂S
Molecular Mass
222.69244
Exact Mass
222.02297628
Charge
0
InChI
InChI=1S/C7H11ClN2O2S/c1-5(2)10-4-7(6(3)9-10)13(8,11)12/h4-5H,1-3H3
InChIKey
OEMNIZAEFGZSJQ-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(cc1S(=O)(=O)Cl)C(C)C
Isomeric Smiles
c1(S(=O)(=O)Cl)cn(nc1C)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2521353
LogD (pH = 7.4)
1.2521617
Log P
1.2521621
Molar Refractivity
62.9145
Polarizability
20.499685
Polar Surface Area
51.96
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