SMILES:
CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(C#N)c(-c2cc(Cl)ccc2C2CC2)cc1=OMolecular Processing
Molecular formula
C25H20ClN3O4
Molecular weight
461.91
Exact mass
461.1142
XLogP
4.82
TPSA
112.19
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
124.58
Supplementary Information
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