Molecule

ID:93387

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₁BClF₄P
Molecular Mass
474.6656138
Exact Mass
474.10985826
Charge
0
InChI
InChI=1S/C25H21ClP.BF4/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;2-1(3,4)5/h1-19H,20H2;/q+1;-1
InChIKey
BDQWDDJLXWWBDN-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.Clc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccc(cc1)Cl.[B-](F)(F)(F)F
Calculated Properties
JChem
Acid pKa
16.290993
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.956309
LogD (pH = 7.4)
6.956309
Log P
6.956309
Molar Refractivity
116.6386
Polarizability
45.843193
Polar Surface Area
0.0
Rotatable Bonds
5
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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