Molecule

ID:80982

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄BrO₃P
Molecular Mass
447.301921
Exact Mass
446.06464326
Charge
0
InChI
InChI=1S/C22H24O3P.BrH/c1-23-17-5-11-20(12-6-17)26(4,21-13-7-18(24-2)8-14-21)22-15-9-19(25-3)10-16-22;/h5-16H,1-4H3;1H/q+1;/p-1
InChIKey
RCZHTBLHCLCVNB-UHFFFAOYSA-M
Canonic Smiles
COc1ccc(cc1)[P+](c1ccc(cc1)OC)(c1ccc(cc1)OC)C.[Br-]
Isomeric Smiles
[P+](c1ccc(cc1)OC)(c1ccc(cc1)OC)(c1ccc(cc1)OC)C.[Br-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.258555
LogD (pH = 7.4)
4.258555
Log P
4.258555
Molar Refractivity
106.5616
Polarizability
41.87591
Polar Surface Area
27.69
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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