SMILES:
COC(=O)c1ccnc(-c2ccccc2)c1Molecular Processing
Molecular formula
C13H11NO2
Molecular weight
213.24
Exact mass
213.079
XLogP
2.54
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
0.077
Molar refractivity
61.01
Supplementary Information
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