Nom: aniline
SMILES:
CCOC(=O)Cc1ccc(N)c(Oc2cc(Br)cc(C#N)c2)c1FMolecular Processing
Molecular formula
C17H14BrFN2O3
Molecular weight
393.21
Exact mass
392.0172
XLogP
3.94
TPSA
85.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
90.08
Supplementary Information
Récupération des détails…
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