Molecule

ID:19167

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₄O₂
Molecular Mass
224.1522328
Exact Mass
224.04604238
Charge
0
InChI
InChI=1S/C9H8F4O2/c1-15-3-5-8(12)6(10)4(2-14)7(11)9(5)13/h14H,2-3H2,1H3
InChIKey
YFHZSPDQKWFAPH-UHFFFAOYSA-N
Canonic Smiles
COCc1c(F)c(F)c(c(c1F)F)CO
Isomeric Smiles
c1(c(c(c(c(c1F)F)COC)F)F)CO
Calculated Properties
JChem
Acid pKa
13.683742
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6524805
LogD (pH = 7.4)
1.6524804
Log P
1.6524805
Molar Refractivity
45.3066
Polarizability
16.38869
Polar Surface Area
29.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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