Molecule

ID:136244

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇O₄P
Molecular Mass
208.191941
Exact Mass
208.08644565
Charge
0
InChI
InChI=1S/C8H17O4P/c1-4-8(9)7-13(10,11-5-2)12-6-3/h4-7H2,1-3H3
InChIKey
GQBVFZDYDHGZPY-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(CC(=O)CC)OCC
Isomeric Smiles
CCC(=O)CP(=O)(OCC)OCC
Calculated Properties
JChem
Acid pKa
14.940331
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2643557
LogD (pH = 7.4)
1.2643557
Log P
1.2643557
Molar Refractivity
50.2738
Polarizability
20.291246
Polar Surface Area
52.6
Rotatable Bonds
7
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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