SMILES:
O=C(Nc1ccccc1Cc1nnn[nH]1)C(F)(F)C(F)(F)C(F)(F)FMolecular Processing
Molecular formula
C12H8F7N5O
Molecular weight
371.22
Exact mass
371.0617
XLogP
2.56
TPSA
83.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
68
Supplementary Information
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