Molecule

ID:15031

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂O₂S
Molecular Mass
236.71902
Exact Mass
236.03862635
Charge
0
InChI
InChI=1S/C8H12N2O2S.ClH/c1-13(11,12)10-8-4-2-7(6-9)3-5-8;/h2-5,10H,6,9H2,1H3;1H
InChIKey
LMTMMWPJYNUNSD-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)NS(=O)(=O)C.Cl
Isomeric Smiles
NCc1ccc(cc1)NS(=O)(=O)C.Cl
Calculated Properties
JChem
Acid pKa
10.072192
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.5177107
LogD (pH = 7.4)
-2.595653
Log P
-0.93990314
Molar Refractivity
51.2146
Polarizability
20.846794
Polar Surface Area
72.19
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