이름: title compound
SMILES:
NC(=NO)c1cc(F)cc(C(F)(F)F)c1Molecular Processing
Molecular formula
C8H6F4N2O
Molecular weight
222.14
Exact mass
222.0416
XLogP
1.94
TPSA
58.61
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
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
0.125
Molar refractivity
43.91
Supplementary Information
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