COc1cc(-c2nc3cc(C#N)ccc3o2)ccc1-c1ccccn1
SMILES: COc1cc(-c2nc3cc(C#N)ccc3o2)ccc1-c1ccccn1

Molecular Processing

Molecular formula
C20H13N3O2
Molecular weight
327.34
Exact mass
327.1008
XLogP
4.44
TPSA
71.94
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
93.94

Supplementary Information

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