Molecule
ID:83108
General Information
Molecular Formula
C₂₆H₂₄NO₃P
Molecular Mass
429.447421
Exact Mass
429.14938026
Charge
0
InChI
InChI=1S/C26H24NO3P/c1-20-11-9-12-21(19-20)25(28)27(2)26(24-17-10-18-30-24)31(29,22-13-5-3-6-14-22)23-15-7-4-8-16-23/h3-19,26H,1-2H3
InChIKey
TXXXMYCTJUGSOF-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C(=O)N(C(P(=O)(c1ccccc1)c1ccccc1)c1ccco1)C
Isomeric Smiles
N(C(c1ccco1)P(=O)(c1ccccc1)c1ccccc1)(C(=O)c1cc(ccc1)C)C
Calculated Properties
JChem
Acid pKa
15.800239
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.6344
LogD (pH = 7.4)
5.6344
Log P
5.6344
Molar Refractivity
123.1247
Polarizability
47.666424
Polar Surface Area
50.52
Rotatable Bonds
6
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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