Molecule

ID:93386

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₂BF₄P
Molecular Mass
440.2205538
Exact Mass
440.14883061
Charge
0
InChI
InChI=1S/C25H22P.BF4/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5/h1-20H,21H2;/q+1;-1
InChIKey
AJSIYGMNHUOCDH-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccccc1.[B-](F)(F)(F)F
Calculated Properties
JChem
Acid pKa
17.877207
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.352264
LogD (pH = 7.4)
6.352264
Log P
6.352264
Molar Refractivity
111.8338
Polarizability
44.074738
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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