SMILES:
N#Cc1c(OCc2ccoc2)cccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C12H8N2O4
Molecular weight
244.21
Exact mass
244.0484
XLogP
2.64
TPSA
89.3
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
60.85
Supplementary Information
Récupération des détails…
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