Molecule

ID:76182

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₂O₂S
Molecular Mass
327.2704
Exact Mass
326.06225425
Charge
0
InChI
InChI=1S/C12H18N2O2S.2ClH/c15-17(16,12-4-2-1-3-5-12)11-10-14-8-6-13-7-9-14;;/h1-5,13H,6-11H2;2*1H
InChIKey
FLSARRQFZSPDRR-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccccc1)CCN1CCNCC1.Cl.Cl
Isomeric Smiles
S(=O)(=O)(c1ccccc1)CCN1CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
19.208195
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.6080222
LogD (pH = 7.4)
-1.1658145
Log P
0.44845974
Molar Refractivity
68.3395
Polarizability
27.836136
Polar Surface Area
49.41
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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