SMILES:
O=C=NCc1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C9H6F3NO
Molecular weight
201.15
Exact mass
201.0401
XLogP
2.54
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
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
0.222
Molar refractivity
43.27
Supplementary Information
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