Molecule
ID:80831
General Information
Molecular Formula
C₂₁H₁₉O₂P
Molecular Mass
334.348121
Exact Mass
334.11226648
Charge
0
InChI
InChI=1S/C21H19O2P/c22-21(17-16-18-10-4-1-5-11-18)24(23,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21-22H
InChIKey
ZFUGWECZPUGMDF-UHFFFAOYSA-N
Canonic Smiles
OC(P(=O)(c1ccccc1)c1ccccc1)/C=C/c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(/C=C/c1ccccc1)O
Calculated Properties
JChem
Acid pKa
13.030342
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.2433
LogD (pH = 7.4)
5.243299
Log P
5.2433
Molar Refractivity
99.3427
Polarizability
38.946663
Polar Surface Area
37.3
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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