Molecule

ID:89473

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄BrO₂P
Molecular Mass
443.313221
Exact Mass
442.06972864
Charge
0
InChI
InChI=1S/C23H24O2P.BrH/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1
InChIKey
RSYXORMKBUFAMS-UHFFFAOYSA-M
Canonic Smiles
CCOC(=O)C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C(C)C(=O)OCC.[Br-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9696846
LogD (pH = 7.4)
4.9696846
Log P
4.9696846
Molar Refractivity
107.4158
Polarizability
42.47823
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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