SMILES:
O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1Molecular Processing
Molecular formula
C17H17N3O4
Molecular weight
327.34
Exact mass
327.1219
XLogP
2.92
TPSA
75.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
89.35
Supplementary Information
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