SMILES:
CC(C#N)(Cn1cc2cc(Cl)cc(Cl)c2n1)NC(=O)c1ccc(Oc2ccccc2)cc1Molecular Processing
Molecular formula
C24H18Cl2N4O2
Molecular weight
465.34
Exact mass
464.0807
XLogP
5.85
TPSA
79.94
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
124.2
Supplementary Information
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