Molecule

ID:89934

General Information
Structure
Molecular Formula
C₂₂H₁₆Br₂N₂
Molecular Mass
468.18384
Exact Mass
465.96802252
Charge
0
InChI
InChI=1S/C22H16Br2N2/c23-20-16-25-21(24)26(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
GGUUMQXVXRVHTE-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc(n1C(c1ccccc1)(c1ccccc1)c1ccccc1)Br
Isomeric Smiles
n1c(n(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(c1)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.7659454
LogD (pH = 7.4)
6.768549
Log P
6.7685823
Molar Refractivity
113.9893
Polarizability
43.240414
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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