Molecule

ID:74913

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉O₅P
Molecular Mass
286.260721
Exact Mass
286.09701034
Charge
0
InChI
InChI=1S/C13H19O5P/c1-4-16-13(14)11-7-9-12(10-8-11)19(15,17-5-2)18-6-3/h7-10H,4-6H2,1-3H3
InChIKey
NGVFPROCAZKXQJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)P(=O)(OCC)OCC
Isomeric Smiles
P(=O)(c1ccc(cc1)C(=O)OCC)(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1093
LogD (pH = 7.4)
3.1093
Log P
3.1093
Molar Refractivity
72.4821
Polarizability
28.643639
Polar Surface Area
61.83
Rotatable Bonds
8
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
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References
Bioactivity
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