Molecule

ID:54836

General Information
Structure
Molecular Formula
C₁₈H₃₂Br₂Cl₂N₄O₂
Molecular Mass
567.18628
Exact Mass
564.02690564
Charge
0
InChI
InChI=1S/C18H32Br2N4O2.2ClH/c19-3-1-17(25)21-5-9-23(10-6-21)13-15-24(16-14-23)11-7-22(8-12-24)18(26)2-4-20;;/h1-16H2;2*1H/q+2;;/p-2
InChIKey
CURYRIVJTBNEGU-UHFFFAOYSA-L
Canonic Smiles
BrCCC(=O)N1CC[N+]2(CC1)CC[N+]1(CC2)CCN(CC1)C(=O)CCBr.[Cl-].[Cl-]
Isomeric Smiles
BrCCC(=O)N1CC[N+]2(CC[N+]3(CC2)CCN(CC3)C(=O)CCBr)CC1.[Cl-].[Cl-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-8.219653
LogD (pH = 7.4)
-8.219653
Log P
-8.219653
Molar Refractivity
133.3802
Polarizability
42.642246
Polar Surface Area
40.62
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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