SMILES:
COc1ccc(C(=O)C(=O)c2ccc(C#N)c(-c3cccnc3)c2)cc1CMolecular Processing
Molecular formula
C22H16N2O3
Molecular weight
356.38
Exact mass
356.1161
XLogP
4
TPSA
80.05
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
100.78
Supplementary Information
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