CC(C)(c1ccc(Cl)cc1)c1cc(N=Nc2cc(Cl)ccc2[N+](=O)[O-])c(O)c(C(C)(C)c2ccc(Cl)cc2)c1
Name: title compound
SMILES: CC(C)(c1ccc(Cl)cc1)c1cc(N=Nc2cc(Cl)ccc2[N+](=O)[O-])c(O)c(C(C)(C)c2ccc(Cl)cc2)c1

Molecular Processing

Molecular formula
C30H26Cl3N3O3
Molecular weight
582.92
Exact mass
581.104
XLogP
10.33
TPSA
88.09
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
39
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
157.55

Supplementary Information

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