Molecule

ID:92700

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₆Br₂N₂
Molecular Mass
468.18384
Exact Mass
465.96802252
Charge
0
InChI
InChI=1S/C22H16Br2N2/c23-20-21(24)26(16-25-20)22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKey
ZHVSCWZZBQRLCU-UHFFFAOYSA-N
Canonic Smiles
Brc1ncn(c1Br)C(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
n1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(c1Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.674998
LogD (pH = 7.4)
6.678742
Log P
6.6787896
Molar Refractivity
114.8295
Polarizability
43.20431
Polar Surface Area
17.82
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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