SMILES:
CCOc1cc(C#N)ccc1C(=O)OMolecular Processing
Molecular formula
C10H9NO3
Molecular weight
191.19
Exact mass
191.0582
XLogP
1.66
TPSA
70.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
49.29
Supplementary Information
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