SMILES:
O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCn2c(nnc2C(F)(F)F)C1Molecular Processing
Molecular formula
C13H10F3N5O4
Molecular weight
357.25
Exact mass
357.0685
XLogP
2.22
TPSA
103.39
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
74.55
Supplementary Information
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