Cc1cc(C=O)ccn1
SMILES: Cc1cc(C=O)ccn1

Molecular Processing

Molecular formula
C7H7NO
Molecular weight
121.14
Exact mass
121.0528
XLogP
1.2
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
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
0.143
Molar refractivity
34.36

Supplementary Information

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