Molecule
ID:121995
General Information
Molecular Formula
C₁₂H₁₁ClN₂O₃S₂
Molecular Mass
330.81034
Exact Mass
329.9899619
Charge
0
InChI
InChI=1S/C12H11ClN2O3S2/c1-2-15-11(13)10(8-16)19-12(15)14-20(17,18)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b14-12-
InChIKey
ROQKRUGZHJUJIL-OWBHPGMISA-N
Canonic Smiles
O=Cc1s/c(=N\S(=O)(=O)c2ccccc2)/n(c1Cl)CC
Isomeric Smiles
c\1(=N\S(=O)(=O)c2ccccc2)/n(c(c(s1)C=O)Cl)CC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.4696512
LogD (pH = 7.4)
2.4696512
Log P
2.4696512
Molar Refractivity
91.2845
Polarizability
31.507622
Polar Surface Area
66.81
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...