O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(c1ccc(NCCN2CCCC2)cc1)c1c(-c2ccc(OCCN3CCCC3)cc2)sc2ccccc12
SMILES: O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(c1ccc(NCCN2CCCC2)cc1)c1c(-c2ccc(OCCN3CCCC3)cc2)sc2ccccc12

Molecular Processing

Molecular formula
C39H45N3O15S
Molecular weight
827.86
Exact mass
827.2571
XLogP
3.42
TPSA
300.11
H-bond donors
7
H-bond acceptors
12
Rotatable bonds
11
Heavy atoms
58
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
5
Fraction Csp3
0.308
Molar refractivity
211.9

Supplementary Information

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