SMILES:
Cn1cccc1C(=O)CC#NMolecular Processing
Molecular formula
C8H8N2O
Molecular weight
148.16
Exact mass
148.0637
XLogP
1.12
TPSA
45.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
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
0.25
Molar refractivity
39.97
Supplementary Information
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