Molecule

ID:66518

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₅Br₂NO₂
Molecular Mass
497.1787
Exact Mass
494.94695273
Charge
0
InChI
InChI=1S/C23H15Br2NO2/c24-19-20(25)22(28)26(21(19)27)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey
FGDKRGOBBHAODC-UHFFFAOYSA-N
Canonic Smiles
O=C1N(C(=O)C(=C1Br)Br)C(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
C1(=O)C(=C(C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.852049
LogD (pH = 7.4)
5.852049
Log P
5.852049
Molar Refractivity
118.5169
Polarizability
44.37956
Polar Surface Area
37.38
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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