SMILES:
COc1cc(N)c(C#N)cc1C(=O)OMolecular Processing
Molecular formula
C9H8N2O3
Molecular weight
192.17
Exact mass
192.0535
XLogP
0.85
TPSA
96.34
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
49.08
Supplementary Information
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