SMILES:
Cc1c(OCC2OCCO2)ccnc1CS(=O)c1nc2ccccc2[nH]1.[Na]Molecular Processing
Molecular formula
C18H19N3NaO4S
Molecular weight
396.42
Exact mass
396.0994
XLogP
1.95
TPSA
86.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
102.12
Supplementary Information
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