SMILES:
N#Cc1c(C2CNCCO2)cc(C(F)(F)F)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C12H10F3N3O3
Molecular weight
301.22
Exact mass
301.0674
XLogP
2.15
TPSA
88.19
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.38
Supplementary Information
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