Molecule

ID:112215

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₇O₄P
Molecular Mass
266.314141
Exact Mass
266.16469597
Charge
0
InChI
InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChIKey
STCOOQWBFONSKY-UHFFFAOYSA-N
Canonic Smiles
CCCCOP(=O)(OCCCC)OCCCC
Isomeric Smiles
CCCCOP(=O)(OCCCC)OCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
4.09
LogD (pH = 5.5)
4.09
Log P
4.09
Rotatable Bonds
12
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-9.06
Polar Surface Area
44.76
Polarizability
30.01
Molar Refractivity
69.72
LOG S
-3.94
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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