Molecule

ID:64158

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀BrNO₂S
Molecular Mass
336.2037
Exact Mass
334.96156157
Charge
0
InChI
InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
InChIKey
MXPFKHHDXIJNDX-UHFFFAOYSA-N
Canonic Smiles
Brc1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Isomeric Smiles
n1(S(=O)(=O)c2ccccc2)cc(c2c1cccc2)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7701344
LogD (pH = 7.4)
3.7701344
Log P
3.7701344
Molar Refractivity
77.7876
Polarizability
31.957188
Polar Surface Area
39.07
Rotatable Bonds
1
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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