SMILES:
COc1cc(-c2nnc(-c3cccnc3C(F)(F)F)o2)cc([N+](=O)[O-])c1OCMolecular Processing
Molecular formula
C16H11F3N4O5
Molecular weight
396.28
Exact mass
396.0682
XLogP
3.74
TPSA
113.41
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
87.73
Supplementary Information
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