Molecule

ID:13889

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂S₂
Molecular Mass
220.74276
Exact Mass
219.98956798
Charge
0
InChI
InChI=1S/C7H8N2S2.ClH/c1-3-4(2)10-6-5(3)11-7(8)9-6;/h1-2H3,(H2,8,9);1H
InChIKey
BJIYDQQEUJSQRO-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2c(s1)c(c(s2)C)C.Cl
Isomeric Smiles
Nc1sc2c(n1)sc(c2C)C.Cl
Calculated Properties
JChem
Acid pKa
15.985861
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9956403
LogD (pH = 7.4)
2.9962304
Log P
2.9962378
Molar Refractivity
48.6144
Polarizability
18.29999
Polar Surface Area
38.91
Rotatable Bonds
0
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