Molecule

ID:74985

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉O₄P
Molecular Mass
222.218521
Exact Mass
222.10209572
Charge
0
InChI
InChI=1S/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3
InChIKey
LQZCYXCHWNQBKX-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)CP(=O)(OC)OC
Isomeric Smiles
P(=O)(OC)(OC)CC(=O)CCCCC
Calculated Properties
JChem
Acid pKa
15.192658
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8255051
LogD (pH = 7.4)
1.8255051
Log P
1.8255051
Molar Refractivity
54.5796
Polarizability
22.115818
Polar Surface Area
52.6
Rotatable Bonds
8
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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