SMILES:
COc1cc(OC)cc(-c2ncc(C#N)c(-c3ccc(Cl)cc3Cl)n2)c1Molecular Processing
Molecular formula
C19H13Cl2N3O2
Molecular weight
386.24
Exact mass
385.0385
XLogP
5.01
TPSA
68.03
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
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
0.105
Molar refractivity
100.74
Supplementary Information
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