Molecule

ID:18877

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂NO₂S
Molecular Mass
242.12286
Exact Mass
240.97310489
Charge
0
InChI
InChI=1S/C7H8ClNO2S.ClH/c8-12(10,11)6-3-7-1-4-9-5-2-7;/h1-2,4-5H,3,6H2;1H
InChIKey
HTLGIJSCZRCHCV-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)CCc1ccncc1.Cl
Isomeric Smiles
S(=O)(=O)(Cl)CCc1ccncc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6363706
LogD (pH = 7.4)
0.7509375
Log P
0.75267386
Molar Refractivity
47.4377
Polarizability
19.247145
Polar Surface Area
47.03
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