Molecule

ID:82256

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅Cl₃IP
Molecular Mass
507.559631
Exact Mass
505.90216815
Charge
0
InChI
InChI=1S/C19H15Cl3P.HI/c1-23(17-8-2-14(20)3-9-17,18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19;/h2-13H,1H3;1H/q+1;/p-1
InChIKey
GDIPCBMBNUUGGJ-UHFFFAOYSA-M
Canonic Smiles
Clc1ccc(cc1)[P+](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C.[I-]
Isomeric Smiles
[P+](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C.[I-]
Calculated Properties
JChem
Acid pKa
18.50212
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.543703
LogD (pH = 7.4)
6.543703
Log P
6.543703
Molar Refractivity
101.5864
Polarizability
39.94555
Polar Surface Area
0.0
Rotatable Bonds
3
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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