Molecule
ID:100576
General Information
Molecular Formula
CH₂F₃O₃P
Molecular Mass
149.9937506
Exact Mass
149.96936521
Charge
0
InChI
InChI=1S/CH2F3O3P/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
InChIKey
XJAAVVLEUZQVNJ-UHFFFAOYSA-N
Canonic Smiles
FC(P(=O)(O)O)(F)F
Isomeric Smiles
P(=O)(C(F)(F)F)(O)O
Calculated Properties
JChem
Acid pKa
-0.05729241
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6395609
LogD (pH = 7.4)
-2.4303675
Log P
0.69653964
Molar Refractivity
17.6284
Polarizability
7.262442
Polar Surface Area
57.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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