SMILES:
O=C(CCl)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C8H6ClN3O5
Molecular weight
259.61
Exact mass
258.9996
XLogP
1.68
TPSA
115.38
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
59.1
Supplementary Information
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