Molecule

ID:30225

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉ClN₂O₂S
Molecular Mass
242.76666
Exact Mass
242.08557654
Charge
0
InChI
InChI=1S/C8H18N2O2S.ClH/c9-6-7-13(11,12)10-8-4-2-1-3-5-8;/h8,10H,1-7,9H2;1H
InChIKey
DPTQVQVBUAXYQS-UHFFFAOYSA-N
Canonic Smiles
NCCS(=O)(=O)NC1CCCCC1.Cl
Isomeric Smiles
S(=O)(=O)(NC1CCCCC1)CCN.Cl
Calculated Properties
JChem
Acid pKa
11.388579
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.8459637
LogD (pH = 7.4)
-1.2395489
Log P
-0.1570975
Molar Refractivity
52.0514
Polarizability
21.597046
Polar Surface Area
72.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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