Molecule

ID:55428

General Information
Structure
Molecular Formula
C₈H₂₀Cl₂N₂O₂S
Molecular Mass
279.2276
Exact Mass
278.06225425
Charge
0
InChI
InChI=1S/C8H18N2O2S.2ClH/c1-13(11,12)7-6-10-4-2-8(9)3-5-10;;/h8H,2-7,9H2,1H3;2*1H
InChIKey
PLJQHXWDUXVRGZ-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)CCS(=O)(=O)C.Cl.Cl
Isomeric Smiles
CS(=O)(=O)CCN1CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-5.4755125
LogD (pH = 7.4)
-4.382388
Log P
-1.9189602
Molar Refractivity
53.4373
Polarizability
21.976345
Polar Surface Area
63.4
Rotatable Bonds
3
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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