Molecule

ID:55702

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀BrN
Molecular Mass
294.23
Exact Mass
293.07791165
Charge
0
InChI
InChI=1S/C15H20N.BrH/c1-2-4-16(5-3-1)15-9-12-6-13(10-15)8-14(7-12)11-15;/h1-5,12-14H,6-11H2;1H/q+1;/p-1
InChIKey
AXXUSTFZAJVTMK-UHFFFAOYSA-M
Canonic Smiles
C1C2CC3CC1CC(C2)(C3)[n+]1ccccc1.[Br-]
Isomeric Smiles
C1C2CC3CC1(CC(C2)C3)[n+]1ccccc1.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.0963886
LogD (pH = 7.4)
-1.0963886
Log P
-1.0963886
Molar Refractivity
65.6733
Polarizability
25.853321
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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