Molecule
ID:70732
General Information
Molecular Formula
C₇H₁₅O₄P
Molecular Mass
194.165361
Exact Mass
194.07079559
Charge
0
InChI
InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3
InChIKey
RSAFKRSMGOSHRK-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(CC(=O)C)OCC
Isomeric Smiles
C(C(=O)C)P(=O)(OCC)OCC
Calculated Properties
JChem
Acid pKa
14.910433
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6153858
LogD (pH = 7.4)
0.6153857
Log P
0.6153858
Molar Refractivity
45.6469
Polarizability
18.47013
Polar Surface Area
52.6
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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