SMILES:
N#Cc1cccc(CC(=O)c2ccccc2)n1Molecular Processing
Molecular formula
C14H10N2O
Molecular weight
222.25
Exact mass
222.0793
XLogP
2.38
TPSA
53.75
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
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
0.071
Molar refractivity
63.43
Supplementary Information
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