SMILES:
C=Cc1ccn(C2=CC(C)(C)Oc3ccc(C#N)cc32)c(=O)c1Molecular Processing
Molecular formula
C19H16N2O2
Molecular weight
304.35
Exact mass
304.1212
XLogP
3.42
TPSA
55.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
90.03
Supplementary Information
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