Molecule

ID:74357

General Information
Structure
MolImage
Molecular Formula
C₃H₁₀BrNO₂S₂
Molecular Mass
236.151
Exact Mass
234.93363257
Charge
0
InChI
InChI=1S/C3H9NO2S2.BrH/c1-8(5,6)7-3-2-4;/h2-4H2,1H3;1H
InChIKey
DMVGEUBCWCKGMY-UHFFFAOYSA-N
Canonic Smiles
NCCSS(=O)(=O)C.Br
Isomeric Smiles
NCCSS(=O)(=O)C.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.093197
LogD (pH = 7.4)
-3.0959415
Log P
-1.113154
Molar Refractivity
35.5729
Polarizability
15.13747
Polar Surface Area
60.16
Rotatable Bonds
3
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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