Molecule

ID:129104

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₈BrN
Molecular Mass
386.36842
Exact Mass
385.1405119
Charge
0
InChI
InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
InChIKey
UCGJZJXOPSNTGZ-UHFFFAOYSA-M
Canonic Smiles
CC[N+]1(CC)CC/C(=C(/c2ccccc2)\c2ccccc2)/C1C.[Br-]
Isomeric Smiles
CC[N+]1(CC)CC/C(=C(/c2ccccc2)\c2ccccc2)/C1C.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.6954395
LogD (pH = 7.4)
0.6954395
Log P
0.6954395
Molar Refractivity
120.852
Polarizability
39.031498
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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