SMILES:
CC(=O)Nc1cccc(C=O)c1Molecular Processing
Molecular formula
C9H9NO2
Molecular weight
163.18
Exact mass
163.0633
XLogP
1.46
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
46.13
Supplementary Information
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