Molecule
ID:112962
General Information
Molecular Formula
C₂₂H₁₈NO₂P
Molecular Mass
359.357581
Exact Mass
359.10751545
Charge
0
InChI
InChI=1S/C22H18NO2P/c24-21-16-20(22(25)23-21)26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,23,24,25)
InChIKey
GNAVAQXUNJPBEW-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)CC1=P(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
C1(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NC(=O)C1
Calculated Properties
JChem
Acid pKa
9.790978
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.924778
LogD (pH = 7.4)
4.923051
Log P
4.9248
Molar Refractivity
103.2582
Polarizability
40.376274
Polar Surface Area
46.17
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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