Molecule

ID:43891

General Information
Structure
Molecular Formula
C₉H₉F₂NO₂
Molecular Mass
201.1700664
Exact Mass
201.06013497
Charge
0
InChI
InChI=1S/C9H9F2NO2/c1-12(14-2)9(13)8-6(10)4-3-5-7(8)11/h3-5H,1-2H3
InChIKey
XXYIGOBHAZPIOZ-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1c(F)cccc1F)C
Isomeric Smiles
c1(C(=O)N(OC)C)c(F)cccc1F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7077451
LogD (pH = 7.4)
1.7077451
Log P
1.7077451
Molar Refractivity
46.7128
Polarizability
17.083952
Polar Surface Area
29.54
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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