Molecule

ID:109883

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈BrN
Molecular Mass
292.21412
Exact Mass
291.06226158
Charge
0
InChI
InChI=1S/C15H18N.BrH/c1-13-8-10-16(12-14(13)2)11-9-15-6-4-3-5-7-15;/h3-8,10,12H,9,11H2,1-2H3;1H/q+1;/p-1
InChIKey
HNJWEFOUXZGAAM-UHFFFAOYSA-M
Canonic Smiles
Cc1cc[n+](cc1C)CCc1ccccc1.[Br-]
Isomeric Smiles
[Br-].Cc1cc[n+](CCc2ccccc2)cc1C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.14781787
LogD (pH = 7.4)
-0.14781787
Log P
-0.14781787
Molar Refractivity
69.5065
Polarizability
26.392094
Polar Surface Area
3.88
Rotatable Bonds
3
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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