SMILES:
CCOC(=O)c1c(O)c2cnc(SC)nc2n(C)c1=OMolecular Processing
Molecular formula
C12H13N3O4S
Molecular weight
295.32
Exact mass
295.0627
XLogP
0.93
TPSA
94.31
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
20
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
0.333
Molar refractivity
74.18
Supplementary Information
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