Molecule

ID:80370

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅Br₂N
Molecular Mass
345.0729
Exact Mass
342.95712349
Charge
0
InChI
InChI=1S/C13H15BrN.BrH/c14-12-10-6-11-13(12)15(11,8-10)7-9-4-2-1-3-5-9;/h1-5,10-13H,6-8H2;1H/q+1;/p-1
InChIKey
WWTZDWSPJXQSGV-UHFFFAOYSA-M
Canonic Smiles
BrC1C2CC3C1[N+]3(C2)Cc1ccccc1.[Br-]
Isomeric Smiles
[N+]12(C3C1CC(C2)C3Br)Cc1ccccc1.[Br-]
Calculated Properties
JChem
Acid pKa
18.37786
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.4957072
LogD (pH = 7.4)
-1.4957072
Log P
-1.4957072
Molar Refractivity
75.4639
Polarizability
25.109766
Polar Surface Area
0.0
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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