Nom: 6a
SMILES:
O=C(O)C(F)(F)F.O=S(=O)(Nc1ccccc1OC1CCNCC1)c1ccccn1Molecular Processing
Molecular formula
C18H20F3N3O5S
Molecular weight
447.44
Exact mass
447.1076
XLogP
2.65
TPSA
117.62
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
101.7
Supplementary Information
Récupération des détails…
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