Molecule

ID:18316

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂OS
Molecular Mass
190.65058
Exact Mass
189.99676153
Charge
0
InChI
InChI=1S/C6H7ClN2OS/c1-4(10)8-6-9-5(2-7)3-11-6/h3H,2H2,1H3,(H,8,9,10)
InChIKey
NBUKMHXINQOFDI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1nc(cs1)CCl
Isomeric Smiles
c1(nc(cs1)CCl)NC(=O)C
Calculated Properties
JChem
Acid pKa
10.805861
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2227107
LogD (pH = 7.4)
1.2225509
Log P
1.222713
Molar Refractivity
44.9474
Polarizability
16.806152
Polar Surface Area
41.99
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