COc1c(C#N)ccc(F)c1C=O
SMILES: COc1c(C#N)ccc(F)c1C=O

Molecular Processing

Molecular formula
C9H6FNO2
Molecular weight
179.15
Exact mass
179.0383
XLogP
1.52
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
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
0.111
Molar refractivity
43.05

Supplementary Information

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