SMILES:
CCOC(=O)c1cccc([N+](=O)[O-])c1NC(C)CMolecular Processing
Molecular formula
C12H16N2O4
Molecular weight
252.27
Exact mass
252.111
XLogP
2.59
TPSA
81.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
67.81
Supplementary Information
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