SMILES:
O=C([O-])COc1ccc(-c2cc(=O)cc(N3CCOCC3)o2)c2c1Sc1ccccc1S2.[Na+]Molecular Processing
Molecular formula
C23H18NNaO6S2
Molecular weight
491.52
Exact mass
491.0473
XLogP
-0.11
TPSA
92.04
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.217
Molar refractivity
118.64
Supplementary Information
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