Molecule

ID:87905

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀BrNO₂S
Molecular Mass
336.2037
Exact Mass
334.96156157
Charge
0
InChI
InChI=1S/C14H10BrNO2S/c15-14-10-11-6-4-5-9-13(11)16(14)19(17,18)12-7-2-1-3-8-12/h1-10H
InChIKey
DILGYNXRWCVNEV-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
Isomeric Smiles
n1(c2ccccc2cc1Br)S(=O)(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.47049
LogD (pH = 7.4)
3.47049
Log P
3.47049
Molar Refractivity
77.5696
Polarizability
31.997997
Polar Surface Area
39.07
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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