Molecule

ID:74929

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅O₄P
Molecular Mass
242.208161
Exact Mass
242.07079559
Charge
0
InChI
InChI=1S/C11H15O4P/c1-3-14-16(13,15-4-2)11-7-5-10(9-12)6-8-11/h5-9H,3-4H2,1-2H3
InChIKey
KQJAWWYLJCTQNG-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(c1ccc(cc1)C=O)OCC
Isomeric Smiles
P(=O)(c1ccc(cc1)C=O)(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2947
LogD (pH = 7.4)
2.2947
Log P
2.2947
Molar Refractivity
62.2922
Polarizability
24.260147
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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