Molecule

ID:59337

General Information
Structure
Molecular Formula
C₉H₁₂FO₃P
Molecular Mass
218.1619442
Exact Mass
218.05080909
Charge
0
InChI
InChI=1S/C9H12FO3P/c1-12-14(11,13-2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKey
PXRXOCSAKCSLKQ-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(Cc1ccc(cc1)F)OC
Isomeric Smiles
c1c(ccc(c1)CP(=O)(OC)OC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7870953
LogD (pH = 7.4)
1.7870953
Log P
1.7870953
Molar Refractivity
51.0954
Polarizability
20.280579
Polar Surface Area
35.53
Rotatable Bonds
4
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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