SMILES:
COc1ccc(F)c2c1C=C(C#N)CO2Molecular Processing
Molecular formula
C11H8FNO2
Molecular weight
205.19
Exact mass
205.0539
XLogP
2.13
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
52.04
Supplementary Information
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