Molecule

ID:23930

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₅ClN₂O₂S
Molecular Mass
284.8464
Exact Mass
284.13252673
Charge
0
InChI
InChI=1S/C11H24N2O2S.ClH/c1-3-13(4-2)8-5-7-12-11-6-9-16(14,15)10-11;/h11-12H,3-10H2,1-2H3;1H
InChIKey
OVJQOTKFELZNEN-UHFFFAOYSA-N
Canonic Smiles
CCN(CCCNC1CCS(=O)(=O)C1)CC.Cl
Isomeric Smiles
C1(CS(=O)(=O)CC1)NCCCN(CC)CC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.998226
LogD (pH = 7.4)
-2.4523897
Log P
-0.6205747
Molar Refractivity
67.6261
Polarizability
27.489622
Polar Surface Area
49.41
Rotatable Bonds
7
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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