SMILES:
CC(C)CNc1nc(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)cc1C#NMolecular Processing
Molecular formula
C22H19Cl2N3
Molecular weight
396.32
Exact mass
395.0956
XLogP
6.66
TPSA
48.71
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
113.17
Supplementary Information
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