CC(=O)C(C#N)c1cc(F)c2c(c1)OCCO2
Name: 2-(8-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanenitrile
SMILES: CC(=O)C(C#N)c1cc(F)c2c(c1)OCCO2

Molecular Processing

Molecular formula
C12H10FNO3
Molecular weight
235.21
Exact mass
235.0645
XLogP
1.79
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
56.43

Supplementary Information

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