Molecule

ID:55335

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄ClNO₂S
Molecular Mass
187.68816
Exact Mass
187.04337737
Charge
0
InChI
InChI=1S/C5H13NO2S.ClH/c1-5(2)9(7,8)4-3-6;/h5H,3-4,6H2,1-2H3;1H
InChIKey
DHFKENKHVSIOCO-UHFFFAOYSA-N
Canonic Smiles
NCCS(=O)(=O)C(C)C.Cl
Isomeric Smiles
S(=O)(=O)(CCN)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4634387
LogD (pH = 7.4)
-1.808899
Log P
-0.8680049
Molar Refractivity
36.9876
Polarizability
15.662954
Polar Surface Area
60.16
Rotatable Bonds
3
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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