SMILES:
COC(=O)Cc1ccc2ncccc2c1Molecular Processing
Molecular formula
C12H11NO2
Molecular weight
201.22
Exact mass
201.079
XLogP
1.95
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
57.46
Supplementary Information
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