Name: using compound 16
SMILES:
CCOC(=O)C1CCc2nc3sc4c(c3c(=O)n2CC1)CCCC4Molecular Processing
Molecular formula
C18H22N2O3S
Molecular weight
346.45
Exact mass
346.1351
XLogP
2.85
TPSA
61.19
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
93.58
Supplementary Information
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