NC1CCN(CCOCCc2ccc3sccc3c2)C1.O=C(O)C(=O)O.O=C(O)C(=O)O
SMILES: NC1CCN(CCOCCc2ccc3sccc3c2)C1.O=C(O)C(=O)O.O=C(O)C(=O)O

Molecular Processing

Molecular formula
C20H26N2O9S
Molecular weight
470.5
Exact mass
470.1359
XLogP
0.8
TPSA
187.69
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
3
Fraction Csp3
0.4
Molar refractivity
115.92

Supplementary Information

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Involved in 5 reactions→

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