Molecule

ID:78461

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀Cl₂N₂O₂S
Molecular Mass
363.3025
Exact Mass
362.06225425
Charge
0
InChI
InChI=1S/C15H19ClN2O2S.ClH/c16-14-8-4-7-13-12(14)6-5-9-15(13)21(19,20)18-11-3-1-2-10-17;/h4-9,18H,1-3,10-11,17H2;1H
InChIKey
PIIRROLPTDOPIH-UHFFFAOYSA-N
Canonic Smiles
NCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl.Cl
Isomeric Smiles
Clc1cccc2c1cccc2S(=O)(=O)NCCCCCN.Cl
Calculated Properties
JChem
Acid pKa
9.72193
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.40017122
LogD (pH = 7.4)
0.08438272
Log P
2.000704
Molar Refractivity
86.4284
Polarizability
35.71226
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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