Molecule

ID:94786

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅Br₂F₂P
Molecular Mass
472.1009674
Exact Mass
469.92461755
Charge
0
InChI
InChI=1S/C19H15BrF2P.BrH/c20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
InChIKey
LLFPAYWKPAHZHA-UHFFFAOYSA-M
Canonic Smiles
FC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)(Br)F.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C(Br)(F)F.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.429137
LogD (pH = 7.4)
6.429137
Log P
6.429137
Molar Refractivity
95.0419
Polarizability
36.398
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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