Molecule

ID:112266

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₄BrP
Molecular Mass
447.346521
Exact Mass
446.0798994
Charge
0
InChI
InChI=1S/C26H24P.BrH/c1-21-18-19-26(22(2)20-21)27(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h3-20H,1-2H3;1H/q+1;/p-1
InChIKey
LPRMFDHPGGLPFB-UHFFFAOYSA-M
Canonic Smiles
Cc1ccc(c(c1)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[Br-].Cc1ccc(c(C)c1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.1050363
LogD (pH = 7.4)
7.1050363
Log P
7.1050363
Molar Refractivity
117.1796
Polarizability
45.72904
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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