Molecule

ID:44119

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₃NO₂
Molecular Mass
219.1605296
Exact Mass
219.05071316
Charge
0
InChI
InChI=1S/C9H8F3NO2/c1-13(15-2)9(14)8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H3
InChIKey
HLURWTIDWPYHAK-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1c(F)cc(cc1F)F)C
Isomeric Smiles
c1(C(=O)N(OC)C)c(cc(cc1F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8504469
LogD (pH = 7.4)
1.8504469
Log P
1.8504469
Molar Refractivity
46.9292
Polarizability
16.959312
Polar Surface Area
29.54
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
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References
Bioactivity
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