Molecule

ID:82997

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₉N₂O₂P
Molecular Mass
398.393621
Exact Mass
398.11841449
Charge
0
InChI
InChI=1S/C24H19N2O2P/c27-26(28)21-12-10-11-20(19-21)25-29(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H
InChIKey
AGFAUKFPPPZZIA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=Nc1cc(ccc1)[N+](=O)[O-])(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.234483
LogD (pH = 7.4)
7.2345
Log P
7.2345
Molar Refractivity
119.1361
Polarizability
44.84705
Polar Surface Area
58.18
Rotatable Bonds
5
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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