Molecule

ID:82070

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₄Br₂N₂O₄
Molecular Mass
574.34576
Exact Mass
572.08853158
Charge
0
InChI
InChI=1S/C24H34N2O4.2BrH/c1-25(2,17-19-7-11-21(12-8-19)23(27)29-5)15-16-26(3,4)18-20-9-13-22(14-10-20)24(28)30-6;;/h7-14H,15-18H2,1-6H3;2*1H/q+2;;/p-2
InChIKey
CQUMRFGCWWZTQW-UHFFFAOYSA-L
Canonic Smiles
COC(=O)c1ccc(cc1)C[N+](CC[N+](Cc1ccc(cc1)C(=O)OC)(C)C)(C)C.[Br-].[Br-]
Isomeric Smiles
[N+](CC[N+](Cc1ccc(cc1)C(=O)OC)(C)C)(Cc1ccc(cc1)C(=O)OC)(C)C.[Br-].[Br-]
Calculated Properties
JChem
Acid pKa
15.8848715
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-4.6599593
LogD (pH = 7.4)
-4.659959
Log P
-4.6599593
Molar Refractivity
143.1102
Polarizability
46.39848
Polar Surface Area
52.6
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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