Name: product
SMILES:
Cn1ccnc1C(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)[nH]c1=OMolecular Processing
Molecular formula
C22H15Cl2N3O2
Molecular weight
424.29
Exact mass
423.0541
XLogP
4.98
TPSA
67.75
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.045
Molar refractivity
114.6
Supplementary Information
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