Molecule

ID:122088

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₂S₂
Molecular Mass
302.80024
Exact Mass
301.99504728
Charge
0
InChI
InChI=1S/C11H11ClN2O2S2/c12-7-2-1-3-8(4-7)14-10-6-18(15,16)5-9(10)13-11(14)17/h1-4,9-10H,5-6H2,(H,13,17)
InChIKey
VAUSUEMCZPTJJV-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)N1C(=NC2C1CS(=O)(=O)C2)S
Isomeric Smiles
S1(=O)(=O)CC2N(C(=NC2C1)S)c1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
6.4719224
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7762591
LogD (pH = 7.4)
1.0509961
Log P
1.8175486
Molar Refractivity
73.1559
Polarizability
29.136549
Polar Surface Area
49.74
Rotatable Bonds
1
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