Molecule

ID:80070

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₁N₄O₄P
Molecular Mass
460.421701
Exact Mass
460.1300418
Charge
0
InChI
InChI=1S/C24H21N4O4P/c1-26-22(21(28(31)32)23(29)27(2)24(26)30)25-33(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKey
QZTWDTFGMRTQIV-UHFFFAOYSA-N
Canonic Smiles
O=c1n(C)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(c(=O)n1C)[N+](=O)[O-]
Isomeric Smiles
n1(c(c(c(=O)n(c1=O)C)[N+](=O)[O-])N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
5.0712395
LogD (pH = 7.4)
5.071892
Log P
5.0719
Molar Refractivity
135.0932
Polarizability
47.813946
Polar Surface Area
98.8
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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