Molecule

ID:29898

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃O
Molecular Mass
200.1571896
Exact Mass
200.0448995
Charge
0
InChI
InChI=1S/C10H7F3O/c1-6-7-4-2-3-5-8(7)14-9(6)10(11,12)13/h2-5H,1H3
InChIKey
FCQIULJGRMYYHP-UHFFFAOYSA-N
Canonic Smiles
Cc1c2ccccc2oc1C(F)(F)F
Isomeric Smiles
o1c(c(c2c1cccc2)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4436402
LogD (pH = 7.4)
3.4436402
Log P
3.4436402
Molar Refractivity
45.7915
Polarizability
17.517567
Polar Surface Area
13.14
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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