SMILES:
O=C(O)C(Cc1ccccc1[N+](=O)[O-])=NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1Molecular Processing
Molecular formula
C18H12Cl2N4O4S
Molecular weight
451.29
Exact mass
449.9956
XLogP
5.12
TPSA
117.72
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
113.06
Supplementary Information
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