Molecule

ID:81153

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Br₃N
Molecular Mass
407.9265
Exact Mass
404.83633533
Charge
0
InChI
InChI=1S/C12H10Br2N.BrH/c13-11-6-10(7-12(14)8-11)9-15-4-2-1-3-5-15;/h1-8H,9H2;1H/q+1;/p-1
InChIKey
NHCOQJAPCPIPIE-UHFFFAOYSA-M
Canonic Smiles
Brc1cc(C[n+]2ccccc2)cc(c1)Br.[Br-]
Isomeric Smiles
[n+]1(ccccc1)Cc1cc(cc(c1)Br)Br.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.0741834
LogD (pH = 7.4)
0.0741834
Log P
0.0741834
Molar Refractivity
69.9147
Polarizability
26.635553
Polar Surface Area
3.88
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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