Molecule

ID:54455

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃BrN₂O₂S
Molecular Mass
365.24492
Exact Mass
363.98811067
Charge
0
InChI
InChI=1S/C15H13BrN2O2S/c1-2-13-9-11-8-12(16)10-17-15(11)18(13)21(19,20)14-6-4-3-5-7-14/h3-10H,2H2,1H3
InChIKey
LXKRNOSXVMMUAL-UHFFFAOYSA-N
Canonic Smiles
CCc1cc2c(n1S(=O)(=O)c1ccccc1)ncc(c2)Br
Isomeric Smiles
c1(cnc2c(c1)cc(n2S(=O)(=O)c1ccccc1)CC)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6420074
LogD (pH = 7.4)
3.6420078
Log P
3.6420078
Molar Refractivity
85.257
Polarizability
34.055916
Polar Surface Area
51.96
Rotatable Bonds
2
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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