SMILES:
Nc1cnc(NCCNc2ccc([N+](=O)[O-])c(N)n2)nc1-c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C17H16Cl2N8O2
Molecular weight
435.28
Exact mass
434.0773
XLogP
3.44
TPSA
157.91
H-bond donors
4
H-bond acceptors
9
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
12
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
114.18
Supplementary Information
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