Molecule

ID:83302

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₁BrNO₂P
Molecular Mass
478.317501
Exact Mass
477.04932755
Charge
0
InChI
InChI=1S/C25H21NO2P.BrH/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChIKey
IPJPTPFIJLFWLP-UHFFFAOYSA-M
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[O-].[Br-]
Calculated Properties
JChem
Acid pKa
15.417845
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.2922482
LogD (pH = 7.4)
6.2922482
Log P
6.2922482
Molar Refractivity
118.1543
Polarizability
45.78874
Polar Surface Area
43.14
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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