SMILES:
CCc1n(CC(=O)c2ccc(OC)cc2)cc[n+]1N=Cc1ccccc1Molecular Processing
Molecular formula
C21H22N3O2+
Molecular weight
348.43
Exact mass
348.1707
XLogP
3.11
TPSA
47.47
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
100.76
Supplementary Information
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