Molecule

ID:55161

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂OS
Molecular Mass
289.26548
Exact Mass
288.08298969
Charge
0
InChI
InChI=1S/C10H20N2OS.2ClH/c11-9-1-5-12(6-2-9)10-3-7-14(13)8-4-10;;/h9-10H,1-8,11H2;2*1H
InChIKey
SRDUCVLWPRLXHC-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C1CCS(=O)CC1.Cl.Cl
Isomeric Smiles
C1C(CCN(C1)C1CCS(=O)CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.929161
LogD (pH = 7.4)
-4.8457694
Log P
-1.8655033
Molar Refractivity
61.5027
Polarizability
24.35802
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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