Molecule

ID:3035

General Information
Structure
Molecular Formula
C₆H₁₅O₄P
Molecular Mass
182.154661
Exact Mass
182.07079559
Charge
0
InChI
InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
InChIKey
DQWPFSLDHJDLRL-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(OCC)OCC
Isomeric Smiles
P(=O)(OCC)(OCC)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
1.18
LogD (pH = 5.5)
1.18
Log P
1.18
Rotatable Bonds
6
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-9.06
Polar Surface Area
44.76
Polarizability
17.86
Molar Refractivity
42.34
LOG S
-1.21
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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