SMILES:
Cc1ccc2ccc(C#N)c(OC(C)C)c2n1Molecular Processing
Molecular formula
C14H14N2O
Molecular weight
226.28
Exact mass
226.1106
XLogP
3.2
TPSA
45.91
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
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
0.286
Molar refractivity
66.96
Supplementary Information
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