Name: compound
SMILES:
CC(O)(c1ccc(F)cc1F)C1CC1C#NMolecular Processing
Molecular formula
C12H11F2NO
Molecular weight
223.22
Exact mass
223.0809
XLogP
2.33
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
53.14
Supplementary Information
Details werden geladen…
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