Molecule

ID:96928

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O₂
Molecular Mass
204.1458896
Exact Mass
204.03981412
Charge
0
InChI
InChI=1S/C9H7F3O2/c1-6-2-7(5-13)4-8(3-6)14-9(10,11)12/h2-5H,1H3
InChIKey
LAGVGNCAIJDRHK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(cc(c1)C)OC(F)(F)F
Isomeric Smiles
O=Cc1cc(cc(c1)OC(F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6302812
LogD (pH = 7.4)
3.6302812
Log P
3.6302812
Molar Refractivity
40.7535
Polarizability
15.970385
Polar Surface Area
26.3
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
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Molecule Details
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References
Bioactivity
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