Molecule

ID:85609

General Information
Structure
Molecular Formula
C₄H₁₂BrNO₂S₂
Molecular Mass
250.17758
Exact Mass
248.94928263
Charge
0
InChI
InChI=1S/C4H11NO2S2.BrH/c1-9(6,7)8-4-2-3-5;/h2-5H2,1H3;1H
InChIKey
SKVCHEKULNWKHX-UHFFFAOYSA-N
Canonic Smiles
NCCCSS(=O)(=O)C.Br
Isomeric Smiles
NCCCSS(=O)(=O)C.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.847933
LogD (pH = 7.4)
-3.4124954
Log P
-0.8244928
Molar Refractivity
40.3279
Polarizability
16.965425
Polar Surface Area
60.16
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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