SMILES:
CCC(C#N)c1ccc(-c2nc3ccccc3o2)cc1OCMolecular Processing
Molecular formula
C18H16N2O2
Molecular weight
292.34
Exact mass
292.1212
XLogP
4.52
TPSA
59.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
84.64
Supplementary Information
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