Nombre: 1-(4,5-dihydro-5-(2,6-difluorophenyl)-3-isoxazolyl)ethanone
SMILES:
CC(=O)C1=NOC(c2c(F)cccc2F)C1Molecular Processing
Molecular formula
C11H9F2NO2
Molecular weight
225.19
Exact mass
225.0601
XLogP
2.37
TPSA
38.66
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
52.92
Supplementary Information
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