Molecule

ID:83300

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₉BrNO₃P
Molecular Mass
468.279621
Exact Mass
467.0285921
Charge
0
InChI
InChI=1S/C23H19NO3P.BrH/c25-24(26)23-17-16-19(27-23)18-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-17H,18H2;1H/q+1;/p-1
InChIKey
QRXISEUXYUUMND-UHFFFAOYSA-M
Canonic Smiles
[O-][N+](=O)c1ccc(o1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[N+](=O)(c1ccc(o1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[O-].[Br-]
Calculated Properties
JChem
Acid pKa
13.972261
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.2858787
LogD (pH = 7.4)
5.285878
Log P
5.2858787
Molar Refractivity
110.9567
Polarizability
42.63239
Polar Surface Area
58.96
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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