Molecule

ID:78492

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀Cl₂N₂O₂S
Molecular Mass
363.3025
Exact Mass
362.06225425
Charge
0
InChI
InChI=1S/C15H19ClN2O2S.ClH/c16-15-6-4-5-12-11-13(7-8-14(12)15)21(19,20)18-10-3-1-2-9-17;/h4-8,11,18H,1-3,9-10,17H2;1H
InChIKey
VFBVMUPRNSZJTL-UHFFFAOYSA-N
Canonic Smiles
NCCCCCNS(=O)(=O)c1ccc2c(c1)cccc2Cl.Cl
Isomeric Smiles
S(=O)(=O)(c1ccc2c(c1)cccc2Cl)NCCCCCN.Cl
Calculated Properties
JChem
Acid pKa
9.830026
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.4009687
LogD (pH = 7.4)
0.06350564
Log P
2.0448446
Molar Refractivity
86.4284
Polarizability
35.7083
Polar Surface Area
72.19
Rotatable Bonds
6
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
References
Bioactivity
Navigation