SMILES:
Cc1cc(C)c(C=O)[nH]1Molecular Processing
Molecular formula
C7H9NO
Molecular weight
123.15
Exact mass
123.0684
XLogP
1.44
TPSA
32.86
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
35.65
Supplementary Information
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