SMILES:
O=C=Nc1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C8H4F3NO
Molecular weight
187.12
Exact mass
187.0245
XLogP
2.67
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
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
0.125
Molar refractivity
39.23
Supplementary Information
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