Molecule
ID:99776
General Information
Molecular Formula
C₉H₇F₃O₂
Molecular Mass
204.1458896
Exact Mass
204.03981412
Charge
0
InChI
InChI=1S/C9H7F3O2/c1-2-14-9(13)5-3-7(11)8(12)4-6(5)10/h3-4H,2H2,1H3
InChIKey
YCDADJUAUJPWHD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(F)c(cc1F)F
Isomeric Smiles
Fc1c(cc(c(c1)F)F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7616365
LogD (pH = 7.4)
2.7616365
Log P
2.7616365
Molar Refractivity
43.4811
Polarizability
15.945255
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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