SMILES:
Cc1cc(-c2ccc(Cl)cc2)c(-c2ccncc2)c2nn(Cc3ccc(C#N)cn3)c(=O)n12Molecular Processing
Molecular formula
C25H17ClN6O
Molecular weight
452.91
Exact mass
452.1152
XLogP
4.5
TPSA
88.87
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.08
Molar refractivity
125.92
Supplementary Information
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