SMILES:
CCc1c(C(=O)c2cc(C)cc(C)c2)n(Cc2cccc(Cl)n2)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C21H20ClN3O3
Molecular weight
397.86
Exact mass
397.1193
XLogP
3.04
TPSA
84.82
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
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
0.238
Molar refractivity
108.4
Supplementary Information
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