Molecule

ID:9464

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₇O
Molecular Mass
212.0655424
Exact Mass
212.00721226
Charge
0
InChI
InChI=1S/C5H3F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
InChIKey
XJYXROGTQYHLTH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C(C(C(F)(F)F)(F)F)(F)F)C
Calculated Properties
JChem
Acid pKa
14.436699
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6398938
LogD (pH = 7.4)
2.6398938
Log P
2.6398938
Molar Refractivity
26.541
Polarizability
9.9840765
Polar Surface Area
17.07
Rotatable Bonds
3
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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