Molecule
ID:98375
General Information
Molecular Formula
C₅H₃F₇O
Molecular Mass
212.0655424
Exact Mass
212.00721226
Charge
0
InChI
InChI=1S/C5H3F7O/c6-3(7,1-2-13)4(8,9)5(10,11)12/h2H,1H2
InChIKey
FNUBKINEQIEODM-UHFFFAOYSA-N
Canonic Smiles
O=CCC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(F)C(F)(C(F)(F)CC=O)F
Calculated Properties
JChem
Acid pKa
4.486349
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0333893
LogD (pH = 7.4)
-0.6433716
Log P
2.0842865
Molar Refractivity
26.6137
Polarizability
9.982902
Polar Surface Area
17.07
Rotatable Bonds
4
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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