Molecule

ID:74921

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉O₅P
Molecular Mass
286.260721
Exact Mass
286.09701034
Charge
0
InChI
InChI=1S/C13H19O5P/c1-3-17-19(14,18-4-2)12-7-5-11(6-8-12)13-15-9-10-16-13/h5-8,13H,3-4,9-10H2,1-2H3
InChIKey
CINQUYDQNZUQMK-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(c1ccc(cc1)C1OCCO1)OCC
Isomeric Smiles
P(=O)(c1ccc(cc1)C1OCCO1)(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3572
LogD (pH = 7.4)
2.3572
Log P
2.3572
Molar Refractivity
71.0874
Polarizability
28.556667
Polar Surface Area
53.99
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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