Molecule

ID:55333

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄ClNO₂S
Molecular Mass
187.68816
Exact Mass
187.04337737
Charge
0
InChI
InChI=1S/C5H13NO2S.ClH/c1-3-9(7,8)5-4-6-2;/h6H,3-5H2,1-2H3;1H
InChIKey
DEYJONNLBBVQND-UHFFFAOYSA-N
Canonic Smiles
CNCCS(=O)(=O)CC.Cl
Isomeric Smiles
S(=O)(=O)(CCNC)CC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.8801625
LogD (pH = 7.4)
-2.2453842
Log P
-1.0041888
Molar Refractivity
37.4264
Polarizability
15.662954
Polar Surface Area
46.17
Rotatable Bonds
4
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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