SMILES:
CCOC(=O)c1cc(-c2ccc(C#N)cc2)n(-c2ccc(OC)cc2)n1Molecular Processing
Molecular formula
C20H17N3O3
Molecular weight
347.37
Exact mass
347.127
XLogP
3.6
TPSA
77.14
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
96.22
Supplementary Information
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