Molecule

ID:62398

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₂O₂S
Molecular Mass
282.83052
Exact Mass
282.11687667
Charge
0
InChI
InChI=1S/C11H22N2O2S.ClH/c1-16(14,15)13-9-3-2-4-11(13)10-5-7-12-8-6-10;/h10-12H,2-9H2,1H3;1H
InChIKey
RAHBKCGPFZSHIQ-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)N1CCCCC1C1CCNCC1.Cl
Isomeric Smiles
S(=O)(=O)(N1C(C2CCNCC2)CCCC1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.294628
LogD (pH = 7.4)
-2.6262844
Log P
-0.07340524
Molar Refractivity
64.6469
Polarizability
26.38249
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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