Nombre: 4-nitrophenyl 1-(6-oxo-1,6-dihydropyridazin-3-yl)piperidin-4-yl carbonate
SMILES:
O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CCN(c2ccc(=O)[nH]n2)CC1Molecular Processing
Molecular formula
C16H16N4O6
Molecular weight
360.33
Exact mass
360.107
XLogP
1.86
TPSA
127.66
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
90.3
Supplementary Information
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