Molecule

ID:55704

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂BrN
Molecular Mass
308.25658
Exact Mass
307.09356171
Charge
0
InChI
InChI=1S/C16H22N.BrH/c1-12-2-4-17(5-3-12)16-9-13-6-14(10-16)8-15(7-13)11-16;/h2-5,13-15H,6-11H2,1H3;1H/q+1;/p-1
InChIKey
JROBPRZYLGNZEB-UHFFFAOYSA-M
Canonic Smiles
Cc1cc[n+](cc1)C12CC3CC(C2)CC(C1)C3.[Br-]
Isomeric Smiles
C1C2CC3CC1(CC(C2)C3)[n+]1ccc(cc1)C.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.58296716
LogD (pH = 7.4)
-0.58296716
Log P
-0.58296716
Molar Refractivity
70.7145
Polarizability
27.617859
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
No Data Available
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Molecule Details
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References
Bioactivity
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