SMILES:
N#CC1CN1C(=O)c1cc2ccccc2o1Molecular Processing
Molecular formula
C12H8N2O2
Molecular weight
212.21
Exact mass
212.0586
XLogP
1.78
TPSA
57.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
56.65
Supplementary Information
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