Molecule

ID:9884

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O
Molecular Mass
188.1464896
Exact Mass
188.0448995
Charge
0
InChI
InChI=1S/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3
InChIKey
ABXGMGUHGLQMAW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc(c1)C(F)(F)F
Isomeric Smiles
c1cc(cc(c1)C(=O)C)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.96432
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4087417
LogD (pH = 7.4)
2.4087417
Log P
2.4087417
Molar Refractivity
42.4345
Polarizability
15.243944
Polar Surface Area
17.07
Rotatable Bonds
2
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
References
Bioactivity
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