SMILES:
Cc1ccc(C(=O)C2CC2C#N)c(F)c1Molecular Processing
Molecular formula
C12H10FNO
Molecular weight
203.22
Exact mass
203.0746
XLogP
2.48
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
52.68
Supplementary Information
Obteniendo detalles…
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