Molecule

ID:80199

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂OS
Molecular Mass
190.65058
Exact Mass
189.99676153
Charge
0
InChI
InChI=1S/C6H7ClN2OS/c1-9-5(10)3-4(7)8-6(9)11-2/h3H,1-2H3
InChIKey
XRWGAJTXSJEBGR-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(Cl)cc(=O)n1C
Isomeric Smiles
n1c(n(C)c(=O)cc1Cl)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.757824
LogD (pH = 7.4)
1.757824
Log P
1.757824
Molar Refractivity
57.0159
Polarizability
17.757807
Polar Surface Area
32.67
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