Molecule

ID:86149

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈BrO₂P
Molecular Mass
353.190681
Exact Mass
352.02277845
Charge
0
InChI
InChI=1S/C16H18O2P.BrH/c1-18-16(17)13-19(2,14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-12H,13H2,1-2H3;1H/q+1;/p-1
InChIKey
OJAJSDLKWYTAIS-UHFFFAOYSA-M
Canonic Smiles
COC(=O)C[P+](c1ccccc1)(c1ccccc1)C.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(CC(=O)OC)C.[Br-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6974878
LogD (pH = 7.4)
2.6974878
Log P
2.6974878
Molar Refractivity
78.2481
Polarizability
31.04985
Polar Surface Area
26.3
Rotatable Bonds
5
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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