Molecule

ID:82250

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₁Cl₂P
Molecular Mass
423.314001
Exact Mass
422.07579266
Charge
0
InChI
InChI=1S/C25H21ClP.ClH/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;/h1-19H,20H2;1H/q+1;/p-1
InChIKey
RAHOAHBOOHXRDY-UHFFFAOYSA-M
Canonic Smiles
Clc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccc(cc1)Cl.[Cl-]
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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