Molecule

ID:82204

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂O₂S
Molecular Mass
220.67656
Exact Mass
220.00732622
Charge
0
InChI
InChI=1S/C7H9ClN2O2S/c1-5-4-13-6(9-5)10-7(11)12-3-2-8/h4H,2-3H2,1H3,(H,9,10,11)
InChIKey
AGRSZBFQTDEZNF-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(n1)NC(=O)OCCCl
Isomeric Smiles
n1c(NC(=O)OCCCl)scc1C
Calculated Properties
JChem
Acid pKa
12.126242
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9691029
LogD (pH = 7.4)
1.9691417
Log P
1.9691501
Molar Refractivity
51.1611
Polarizability
19.308083
Polar Surface Area
51.22
Rotatable Bonds
4
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