Molecule

ID:112446

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇Cl₂P
Molecular Mass
347.218041
Exact Mass
346.04449253
Charge
0
InChI
InChI=1S/C19H17ClP.ClH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1
InChIKey
SXYFAZGVNNYGJQ-UHFFFAOYSA-M
Canonic Smiles
ClC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Isomeric Smiles
[Cl-].ClC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
19.861822
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0414157
LogD (pH = 7.4)
5.0414157
Log P
5.0414157
Molar Refractivity
91.6592
Polarizability
36.174877
Polar Surface Area
0.0
Rotatable Bonds
4
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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