SMILES:
Nc1nc(NCCNc2ccc([N+](=O)[O-])c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C18H15Cl2N7O4
Molecular weight
464.27
Exact mass
463.0563
XLogP
4.37
TPSA
162.14
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
118.63
Supplementary Information
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