Molecule

ID:80295

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₂Br₂N₂
Molecular Mass
498.25288
Exact Mass
496.01497271
Charge
0
InChI
InChI=1S/C24H22N2.2BrH/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;;/h1-18H,19-20H2;2*1H/q+2;;/p-2
InChIKey
USMPUQWIEBJXNS-UHFFFAOYSA-L
Canonic Smiles
c1ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1ccccc1.[Br-].[Br-]
Isomeric Smiles
[n+]1(ccc(cc1)c1cc[n+](cc1)Cc1ccccc1)Cc1ccccc1.[Br-].[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.252664
LogD (pH = 7.4)
-3.252664
Log P
-3.252664
Molar Refractivity
108.4164
Polarizability
42.85629
Polar Surface Area
7.76
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation