Molecule

ID:31356

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO₂S
Molecular Mass
199.69886
Exact Mass
199.04337737
Charge
0
InChI
InChI=1S/C6H13NO2S.ClH/c1-6(7-2)3-4-10(8,9)5-6;/h7H,3-5H2,1-2H3;1H
InChIKey
KKOABHQEKCTCJY-UHFFFAOYSA-N
Canonic Smiles
CNC1(C)CCS(=O)(=O)C1.Cl
Isomeric Smiles
S1(=O)(=O)CC(CC1)(NC)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.0664535
LogD (pH = 7.4)
-2.4749997
Log P
-1.1322182
Molar Refractivity
39.8826
Polarizability
16.779062
Polar Surface Area
46.17
Rotatable Bonds
1
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