Molecule

ID:98376

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₇O
Molecular Mass
214.0814224
Exact Mass
214.02286232
Charge
0
InChI
InChI=1S/C5H5F7O/c6-3(7,1-2-13)4(8,9)5(10,11)12/h13H,1-2H2
InChIKey
ROTSWXZIBBJEPH-UHFFFAOYSA-N
Canonic Smiles
OCCC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
OCCC(F)(F)C(F)(F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.763675
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1081078
LogD (pH = 7.4)
2.1081078
Log P
2.1081078
Molar Refractivity
27.4992
Polarizability
10.447007
Polar Surface Area
20.23
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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