Molecule

ID:55705

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄BrN
Molecular Mass
322.28316
Exact Mass
321.10921177
Charge
0
InChI
InChI=1S/C17H24N.BrH/c1-12-3-4-18(11-13(12)2)17-8-14-5-15(9-17)7-16(6-14)10-17;/h3-4,11,14-16H,5-10H2,1-2H3;1H/q+1;/p-1
InChIKey
XIEDZJWLTHFDGA-UHFFFAOYSA-M
Canonic Smiles
Cc1cc[n+](cc1C)C12CC3CC(C2)CC(C1)C3.[Br-]
Isomeric Smiles
C1C2CC3CC1(CC(C2)C3)[n+]1ccc(c(c1)C)C.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.069545776
LogD (pH = 7.4)
-0.069545776
Log P
-0.069545776
Molar Refractivity
75.7557
Polarizability
29.385464
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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