SMILES:
CCCOCC1=C(C(=O)O)N2C(=O)C(N)[C@H]2SC1Molecular Processing
Molecular formula
C11H16N2O4S
Molecular weight
272.33
Exact mass
272.0831
XLogP
-0.01
TPSA
92.86
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
66.84
Supplementary Information
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