Molecule

ID:38102

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂S
Molecular Mass
197.68298
Exact Mass
197.02772731
Charge
0
InChI
InChI=1S/C6H11NO2S.ClH/c8-6(9)5-7-1-3-10-4-2-7;/h1-5H2,(H,8,9);1H
InChIKey
ZOMIBRZQBIGSGS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCSCC1.Cl
Isomeric Smiles
C1CSCCN1CC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
1.6804597
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6959527
LogD (pH = 7.4)
-2.705215
Log P
-2.6959887
Molar Refractivity
41.4328
Polarizability
16.187456
Polar Surface Area
40.54
Rotatable Bonds
2
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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