SMILES:
CCOc1cc(C=C(C#N)C(=O)N(CC)CC)cc([N+](=O)[O-])c1OMolecular Processing
Molecular formula
C16H19N3O5
Molecular weight
333.34
Exact mass
333.1325
XLogP
2.47
TPSA
116.7
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
87.45
Supplementary Information
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