Molecule

ID:92371

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClNO₂S
Molecular Mass
183.6564
Exact Mass
183.01207725
Charge
0
InChI
InChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-6-2-3-9-4;/h4,6H,2-3H2,1H3;1H
InChIKey
YGTQIXUXZVNVKG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1NCCS1.Cl
Isomeric Smiles
S1CCNC1C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.0643986
LogD (pH = 7.4)
0.14080498
Log P
0.14187151
Molar Refractivity
35.7577
Polarizability
14.609369
Polar Surface Area
38.33
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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