SMILES:
OB(O)c1ccnc(C(F)(F)F)c1Molecular Processing
Molecular formula
C6H5BF3NO2
Molecular weight
190.92
Exact mass
191.0365
XLogP
-0.22
TPSA
53.35
H-bond donors
2
H-bond acceptors
3
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
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
39.06
Supplementary Information
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