Molecule

ID:131979

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄Br₂N₂
Molecular Mass
382.09306
Exact Mass
379.95237246
Charge
0
InChI
InChI=1S/C15H14N2.2BrH/c1-4-12-6-7-13-5-2-9-17-11-3-10-16(8-1)14(12)15(13)17;;/h1-2,4-9H,3,10-11H2;2*1H/q+2;;/p-2
InChIKey
LSLXHGOHQCKZJA-UHFFFAOYSA-L
Canonic Smiles
C1C[n+]2cccc3c2c2[n+](C1)cccc2cc3.[Br-].[Br-]
Isomeric Smiles
c1cc2c3c4c1ccc[n+]4CCC[n+]3ccc2.[Br-].[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-6.422645
LogD (pH = 7.4)
-6.422645
Log P
-6.422645
Molar Refractivity
69.6068
Polarizability
28.900816
Polar Surface Area
7.76
Rotatable Bonds
0
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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