Molecule

ID:95862

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₁ClFP
Molecular Mass
406.8594042
Exact Mass
406.1053432
Charge
0
InChI
InChI=1S/C25H21FP.ClH/c26-22-12-10-11-21(19-22)20-27(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25;/h1-19H,20H2;1H/q+1;/p-1
InChIKey
VOMMJIKCTCQTPY-UHFFFAOYSA-M
Canonic Smiles
Fc1cccc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1cc(ccc1)F.[Cl-]
Calculated Properties
JChem
Acid pKa
16.460875
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.494966
LogD (pH = 7.4)
6.494966
Log P
6.494966
Molar Refractivity
112.0502
Polarizability
43.61076
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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