Molecule

ID:74941

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(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
TZAMQIAPGYOUKF-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(C(=O)c1ccccc1)OCC
Isomeric Smiles
P(=O)(OCC)(OCC)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1698747
LogD (pH = 7.4)
2.1698747
Log P
2.1698747
Molar Refractivity
61.3509
Polarizability
24.284456
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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