SMILES:
CCCn1c(=O)c(C(=O)OCC)c(O)c2cnc(SC)nc21Molecular Processing
Molecular formula
C14H17N3O4S
Molecular weight
323.37
Exact mass
323.094
XLogP
1.81
TPSA
94.31
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
83.49
Supplementary Information
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