SMILES:
COc1cccc2c(C#N)nccc12Molecular Processing
Molecular formula
C11H8N2O
Molecular weight
184.2
Exact mass
184.0637
XLogP
2.12
TPSA
45.91
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
53.01
Supplementary Information
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