Molecule

ID:71745

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁F₂NO₃
Molecular Mass
255.2174464
Exact Mass
255.07069966
Charge
0
InChI
InChI=1S/C12H11F2NO3/c13-9-2-1-7(10(14)4-9)5-15-6-8(12(17)18)3-11(15)16/h1-2,4,8H,3,5-6H2,(H,17,18)
InChIKey
HIELWKUFWOBERF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)Cc1ccc(cc1F)F
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)Cc1ccc(cc1F)F
Calculated Properties
JChem
Acid pKa
3.7142394
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7524555
LogD (pH = 7.4)
-2.2670853
Log P
1.0325958
Molar Refractivity
58.2859
Polarizability
21.949389
Polar Surface Area
57.61
Rotatable Bonds
3
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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