CC(C)(C)c1cc(CCC(=O)OC2CC(C)(C)N(Oc3ccc(Cl)cc3[N+](=O)[O-])C(C)(C)C2)cc(-n2nc3ccc(Cl)cc3n2)c1O
SMILES: CC(C)(C)c1cc(CCC(=O)OC2CC(C)(C)N(Oc3ccc(Cl)cc3[N+](=O)[O-])C(C)(C)C2)cc(-n2nc3ccc(Cl)cc3n2)c1O

Molecular Processing

Molecular formula
C34H39Cl2N5O6
Molecular weight
684.62
Exact mass
683.2277
XLogP
8.13
TPSA
132.85
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
47
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.441
Molar refractivity
180.41

Supplementary Information

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