Nombre: ethyl 2-(5-fluoro-2-nitroanilino)-6-methoxybenzo[b]thiophene-3-carboxylate
SMILES:
CCOC(=O)c1c(Nc2cc(F)ccc2[N+](=O)[O-])sc2cc(OC)ccc12Molecular Processing
Molecular formula
C18H15FN2O5S
Molecular weight
390.39
Exact mass
390.0686
XLogP
4.88
TPSA
90.7
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
100.67
Supplementary Information
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