Molecule

ID:83332

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄BrN
Molecular Mass
382.33666
Exact Mass
381.10921177
Charge
0
InChI
InChI=1S/C22H24N.BrH/c1-2-23-15-13-21(14-16-23)22(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20;/h3-16,22H,2,17-18H2,1H3;1H/q+1;/p-1
InChIKey
CCCISLYKKLOOEB-UHFFFAOYSA-M
Canonic Smiles
CC[n+]1ccc(cc1)C(Cc1ccccc1)Cc1ccccc1.[Br-]
Isomeric Smiles
[n+]1(ccc(cc1)C(Cc1ccccc1)Cc1ccccc1)CC.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.5707674
LogD (pH = 7.4)
1.5707674
Log P
1.5707674
Molar Refractivity
98.3879
Polarizability
37.883987
Polar Surface Area
3.88
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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