COc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1OC
SMILES: COc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1OC

Molecular Processing

Molecular formula
C18H14ClN3O2
Molecular weight
339.78
Exact mass
339.0775
XLogP
4.52
TPSA
67.17
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
94.3

Supplementary Information

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