SMILES:
Cc1cc(N2CC=C(C(N)=O)CC2)c2cccc(-c3ccc(Cl)cc3Cl)c2n1Molecular Processing
Molecular formula
C22H19Cl2N3O
Molecular weight
412.32
Exact mass
411.0905
XLogP
5.14
TPSA
59.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
116.04
Supplementary Information
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