Molecule

ID:99235

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₄O
Molecular Mass
208.1528328
Exact Mass
208.05112776
Charge
0
InChI
InChI=1S/C9H8F4O/c1-6-3-2-4-7(5-6)14-9(12,13)8(10)11/h2-5,8H,1H3
InChIKey
LZZXOCVBAKJDOO-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)OC(C(F)F)(F)F
Isomeric Smiles
O(c1cc(ccc1)C)C(F)(F)C(F)F
Calculated Properties
JChem
Acid pKa
18.811842
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6434703
LogD (pH = 7.4)
3.6434703
Log P
3.6434703
Molar Refractivity
42.6879
Polarizability
15.699131
Polar Surface Area
9.23
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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