Molecule

ID:10071

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃O₂
Molecular Mass
216.1565896
Exact Mass
216.03981412
Charge
0
InChI
InChI=1S/C10H7F3O2/c1-6(14)9(15)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3
InChIKey
NAUVRZPTOJDWNX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(=O)c1cccc(c1)C(F)(F)F
Isomeric Smiles
c1cc(cc(c1)C(=O)C(=O)C)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.909964
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6979616
LogD (pH = 7.4)
2.6979616
Log P
2.6979616
Molar Refractivity
47.7805
Polarizability
17.232126
Polar Surface Area
34.14
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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