SMILES:
Cc1c(C2CC2CC#N)ncc(F)c1OMolecular Processing
Molecular formula
C11H11FN2O
Molecular weight
206.22
Exact mass
206.0855
XLogP
2.25
TPSA
56.91
H-bond donors
1
H-bond acceptors
3
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
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
51.67
Supplementary Information
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