Molecule

ID:55152

General Information
Structure
Molecular Formula
C₆H₁₄ClNO₂S
Molecular Mass
199.69886
Exact Mass
199.04337737
Charge
0
InChI
InChI=1S/C6H13NO2S.ClH/c1-7-6-2-4-10(8,9)5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKey
SKCUNZJJXXZULG-UHFFFAOYSA-N
Canonic Smiles
CNC1CCS(=O)(=O)CC1.Cl
Isomeric Smiles
C1S(=O)(=O)CCC(C1)NC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.5242705
LogD (pH = 7.4)
-3.4214282
Log P
-1.352835
Molar Refractivity
40.5234
Polarizability
16.779062
Polar Surface Area
46.17
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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