Molecule

ID:62753

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN₃O₂S
Molecular Mass
289.78164
Exact Mass
289.06517545
Charge
0
InChI
InChI=1S/C11H16ClN3O2S/c1-18(16,17)15-8-2-3-10(15)6-4-9-5-7-11(12)14-13-9/h5,7,10H,2-4,6,8H2,1H3
InChIKey
AOAAQLORORUNJW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)CCC1CCCN1S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1C(CCc2nnc(Cl)cc2)CCC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.33606377
LogD (pH = 7.4)
0.33606556
Log P
0.3360656
Molar Refractivity
72.1888
Polarizability
28.05301
Polar Surface Area
63.16
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