SMILES:
Nc1nc(NCCNc2ncc(N3CCNCC3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C21H23Cl2N9O2
Molecular weight
504.38
Exact mass
503.1352
XLogP
3.27
TPSA
147.16
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
134.85
Supplementary Information
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