Molecule
ID:75018
General Information
Molecular Formula
C₁₆H₁₇O₃P
Molecular Mass
288.278141
Exact Mass
288.09153103
Charge
0
InChI
InChI=1S/C16H17O3P/c1-2-19-16(17)13-20(18,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKey
WYOVIIWQEUXLET-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CP(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
10.512102
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9894958
LogD (pH = 7.4)
2.9891653
Log P
2.9895
Molar Refractivity
78.8905
Polarizability
31.465197
Polar Surface Area
43.37
Rotatable Bonds
6
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
No Data Available
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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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