Molecule

ID:55707

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂BrN
Molecular Mass
344.28868
Exact Mass
343.09356171
Charge
0
InChI
InChI=1S/C19H22N.BrH/c1-2-4-18-13-20(6-5-17(18)3-1)19-10-14-7-15(11-19)9-16(8-14)12-19;/h1-6,13-16H,7-12H2;1H/q+1;/p-1
InChIKey
QPNNPCVWUDOYQO-UHFFFAOYSA-M
Canonic Smiles
c1ccc2c(c1)c[n+](cc2)C12CC3CC(C2)CC(C1)C3.[Br-]
Isomeric Smiles
C1C2CC3CC1(CC(C2)C3)[n+]1ccc2c(c1)cccc2.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.1069118
LogD (pH = 7.4)
-0.1069118
Log P
-0.1069118
Molar Refractivity
82.1235
Polarizability
33.451923
Polar Surface Area
3.88
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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