Molecule

ID:77890

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Br₂N₂O
Molecular Mass
362.06036
Exact Mass
359.94728708
Charge
0
InChI
InChI=1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2
InChIKey
KLJOSQAQZMLLMB-UHFFFAOYSA-L
Canonic Smiles
c1cc[n+]2c(c1)c1cccc[n+]1CC2.O.[Br-].[Br-]
Isomeric Smiles
[Br-].[Br-].[n+]12c(cccc1)c1[n+](cccc1)CC2.O
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-7.033133
LogD (pH = 7.4)
-7.033133
Log P
-7.033133
Molar Refractivity
56.9772
Polarizability
22.87781
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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