Molecule

ID:74987

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁O₄P
Molecular Mass
166.112201
Exact Mass
166.03949546
Charge
0
InChI
InChI=1S/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3
InChIKey
UOWIYNWMROWVDG-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(CC(=O)C)OC
Isomeric Smiles
P(=O)(OC)(CC(=O)C)OC
Calculated Properties
JChem
Acid pKa
15.5211315
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.08418241
LogD (pH = 7.4)
-0.08418242
Log P
-0.08418241
Molar Refractivity
36.1497
Polarizability
14.842041
Polar Surface Area
52.6
Rotatable Bonds
4
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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