SMILES:
N#Cc1ccc(COCc2ccc(C#N)cc2)cc1Molecular Processing
Molecular formula
C16H12N2O
Molecular weight
248.29
Exact mass
248.095
XLogP
3.15
TPSA
56.81
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
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
0.125
Molar refractivity
70.81
Supplementary Information
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