Molecule

ID:62725

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BrN₂O₂S₂
Molecular Mass
339.2723
Exact Mass
337.97583173
Charge
0
InChI
InChI=1S/C10H15BrN2O2S2/c1-7-9(11)16-10(12-7)8-4-3-5-13(6-8)17(2,14)15/h8H,3-6H2,1-2H3
InChIKey
CLVBTAJFMMOXKL-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(sc1Br)C1CCCN(C1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CC(c2sc(c(n2)C)Br)CCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1856669
LogD (pH = 7.4)
1.1856883
Log P
1.1856885
Molar Refractivity
70.5258
Polarizability
28.560642
Polar Surface Area
50.27
Rotatable Bonds
1
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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