Molecule
ID:83864
General Information
Molecular Formula
C₂₈H₂₂N₃O₃P
Molecular Mass
479.466341
Exact Mass
479.13987821
Charge
0
InChI
InChI=1S/C28H22N3O3P/c1-30-25-20-12-11-19-24(25)26(27(28(30)32)31(33)34)29-35(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-20H,1H3
InChIKey
IGHXCOHPOHIEHR-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=O)c([N+](=O)[O-])c(c2c1cccc2)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
n1(c(=O)c(c(c2ccccc12)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.60878
LogD (pH = 7.4)
5.6089973
Log P
5.609
Molar Refractivity
138.3394
Polarizability
52.551468
Polar Surface Area
78.49
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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