Molecule

ID:10947

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂O₂S
Molecular Mass
208.66586
Exact Mass
208.00732622
Charge
0
InChI
InChI=1S/C6H8N2O2S.ClH/c1-2-10-5(9)4-3-11-6(7)8-4;/h3H,2H2,1H3,(H2,7,8);1H
InChIKey
USZSUEYWDNADOK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)N.Cl
Isomeric Smiles
c1(nc(sc1)N)C(=O)OCC.Cl
Calculated Properties
JChem
Acid pKa
16.046955
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0332416
LogD (pH = 7.4)
1.0334947
Log P
1.0334979
Molar Refractivity
41.842
Polarizability
15.6411495
Polar Surface Area
65.21
Rotatable Bonds
3
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