SMILES:
O=S(Cc1cc(OCC2OCC3(CC3)CO2)ccn1)c1nc2ccccc2[nH]1.[Na]Molecular Processing
Molecular formula
C20H21N3NaO4S
Molecular weight
422.46
Exact mass
422.115
XLogP
2.42
TPSA
86.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
109.05
Supplementary Information
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