SMILES:
COc1ccc2c(c1)C=C(C#N)CO2Molecular Processing
Molecular formula
C11H9NO2
Molecular weight
187.2
Exact mass
187.0633
XLogP
1.99
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
52.08
Supplementary Information
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