Molecule

ID:62068

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O₂S
Molecular Mass
288.79358
Exact Mass
288.06992647
Charge
0
InChI
InChI=1S/C12H17ClN2O2S/c1-18(16,17)15-8-2-3-11(15)5-4-10-6-7-14-12(13)9-10/h6-7,9,11H,2-5,8H2,1H3
InChIKey
WYGDNQPYLFKQDT-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)CCC1CCCN1S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1C(CCc2cc(ncc2)Cl)CCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4419038
LogD (pH = 7.4)
1.4419193
Log P
1.4419196
Molar Refractivity
72.7493
Polarizability
28.877268
Polar Surface Area
50.27
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