SMILES:
CC(C)(CNC(=O)c1nc(C#N)c2cc(Cc3ccccc3)ccc2c1O)C(=O)OMolecular Processing
Molecular formula
C23H21N3O4
Molecular weight
403.44
Exact mass
403.1532
XLogP
3.24
TPSA
123.31
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
111.12
Supplementary Information
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