Molecule

ID:55158

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀Cl₂N₂O₂S
Molecular Mass
291.2383
Exact Mass
290.06225425
Charge
0
InChI
InChI=1S/C9H18N2O2S.2ClH/c12-14(13)7-1-9(2-8-14)11-5-3-10-4-6-11;;/h9-10H,1-8H2;2*1H
InChIKey
IDXMINCFYOKNTR-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CCC(CC1)N1CCNCC1.Cl.Cl
Isomeric Smiles
C1NCCN(C1)C1CCS(=O)(=O)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.5686045
LogD (pH = 7.4)
-3.124388
Log P
-1.5057155
Molar Refractivity
56.5735
Polarizability
23.091864
Polar Surface Area
49.41
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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