Molecule

ID:61420

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O
Molecular Mass
188.1464896
Exact Mass
188.0448995
Charge
0
InChI
InChI=1S/C9H7F3O/c1-6-2-3-8(9(10,11)12)4-7(6)5-13/h2-5H,1H3
InChIKey
XFIZZVVBLXLTOD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1C)C(F)(F)F
Isomeric Smiles
C(=O)c1c(ccc(c1)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.077018
LogD (pH = 7.4)
3.077018
Log P
3.077018
Molar Refractivity
43.6569
Polarizability
15.177707
Polar Surface Area
17.07
Rotatable Bonds
2
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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