Molecule

ID:55102

General Information
Structure
MolImage
Molecular Formula
C₃H₁₀BrNOS
Molecular Mass
188.0866
Exact Mass
186.96664695
Charge
0
InChI
InChI=1S/C3H9NOS.BrH/c1-6(5)3-2-4;/h2-4H2,1H3;1H
InChIKey
NJLFYZRYIAERKD-UHFFFAOYSA-N
Canonic Smiles
CS(=O)CCN.Br
Isomeric Smiles
CS(=O)CCN.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.9582667
LogD (pH = 7.4)
-3.6472335
Log P
-2.0526602
Molar Refractivity
28.7578
Polarizability
11.403716
Polar Surface Area
43.09
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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