O=C(O)/C=C/C(=O)O.c1cc2cc(-c3cnc(O[C@@H]4CN5CCC4CC5)nc3)ccc2[nH]1.c1cc2cc(-c3cnc(O[C@@H]4CN5CCC4CC5)nc3)ccc2[nH]1
SMILES: O=C(O)/C=C/C(=O)O.c1cc2cc(-c3cnc(O[C@@H]4CN5CCC4CC5)nc3)ccc2[nH]1.c1cc2cc(-c3cnc(O[C@@H]4CN5CCC4CC5)nc3)ccc2[nH]1

Molecular Processing

Molecular formula
C42H44N8O6
Molecular weight
756.86
Exact mass
756.3384
XLogP
5.91
TPSA
182.68
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
56
Rings
12
Aromatic rings
6
Saturated rings
6
Aliphatic rings
6
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
3
Fraction Csp3
0.333
Molar refractivity
210.22

Supplementary Information

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