SMILES:
Cc1ccc(Oc2cccc(C#N)c2)nc1Molecular Processing
Molecular formula
C13H10N2O
Molecular weight
210.24
Exact mass
210.0793
XLogP
3.05
TPSA
45.91
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
0.077
Molar refractivity
60.21
Supplementary Information
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