Molecule

ID:65336

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO₂S
Molecular Mass
185.67228
Exact Mass
185.02772731
Charge
0
InChI
InChI=1S/C5H11NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h5H,1-4,6H2;1H
InChIKey
XUECUYGAJXDZKG-UHFFFAOYSA-N
Canonic Smiles
NC1CCS(=O)(=O)CC1.Cl
Isomeric Smiles
C1CS(=O)(=O)CCC1N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.781257
LogD (pH = 7.4)
-3.9115086
Log P
-1.7854155
Molar Refractivity
35.7488
Polarizability
14.948934
Polar Surface Area
60.16
Rotatable Bonds
0
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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