Molecule

ID:13693

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉F₂O₃P
Molecular Mass
244.2159274
Exact Mass
244.10398754
Charge
0
InChI
InChI=1S/C9H19F2O3P/c1-3-5-7-13-15(12,9(10)11)14-8-6-4-2/h9H,3-8H2,1-2H3
InChIKey
TZLDWFKMUSEOSL-UHFFFAOYSA-N
Canonic Smiles
CCCCOP(=O)(C(F)F)OCCCC
Isomeric Smiles
O=P(OCCCC)(OCCCC)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6656218
LogD (pH = 7.4)
3.6656218
Log P
3.6656218
Molar Refractivity
54.2914
Polarizability
21.61805
Polar Surface Area
35.53
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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