SMILES:
O=[N+]([O-])c1ccc(NCCNc2ncc(CO)c(-c3ccc(Cl)cc3Cl)n2)nc1Molecular Processing
Molecular formula
C18H16Cl2N6O3
Molecular weight
435.27
Exact mass
434.0661
XLogP
3.77
TPSA
126.1
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
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
0.167
Molar refractivity
111.28
Supplementary Information
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