SMILES:
C#Cc1cc(C#N)c(C(F)(F)F)cc1NMolecular Processing
Molecular formula
C10H5F3N2
Molecular weight
210.16
Exact mass
210.0405
XLogP
2.14
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
48.51
Supplementary Information
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