Nombre: 4,5-dihydro-1-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-1H-1,2,4-triazole
SMILES:
Cc1nn(-c2ccc(Cl)cc2F)c(=O)[nH]1Molecular Processing
Molecular formula
C9H7ClFN3O
Molecular weight
227.63
Exact mass
227.0262
XLogP
1.66
TPSA
50.68
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
53.89
Supplementary Information
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