SMILES:
O=C1Cc2cc(C(F)(F)F)ccc2N1Molecular Processing
Molecular formula
C9H6F3NO
Molecular weight
201.15
Exact mass
201.0401
XLogP
2.2
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
43.78
Supplementary Information
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