COc1cc(-c2nc(-c3c(Cl)nc(C)c(Cl)c3C)no2)cc([N+](=O)[O-])c1O
SMILES: COc1cc(-c2nc(-c3c(Cl)nc(C)c(Cl)c3C)no2)cc([N+](=O)[O-])c1O

Molecular Processing

Molecular formula
C16H12Cl2N4O5
Molecular weight
411.2
Exact mass
410.0185
XLogP
4.34
TPSA
124.41
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
27
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
0.188
Molar refractivity
97.33

Supplementary Information

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