Molecule
ID:113291
General Information
Molecular Formula
C₁₁H₁₇O₄P
Molecular Mass
244.224041
Exact Mass
244.08644565
Charge
0
InChI
InChI=1S/C11H17O4P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h5-9,11-12H,3-4H2,1-2H3
InChIKey
SLNMJVMGIXUXFI-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(C(c1ccccc1)O)OCC
Isomeric Smiles
P(=O)(C(c1ccccc1)O)(OCC)OCC
Calculated Properties
JChem
Acid pKa
11.748442
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9727855
LogD (pH = 7.4)
1.9727663
Log P
1.9727857
Molar Refractivity
61.7471
Polarizability
24.846853
Polar Surface Area
55.76
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
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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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