SMILES:
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)CC3SC2)s1Molecular Processing
Molecular formula
C11H11N3O3S3
Molecular weight
329.43
Exact mass
328.9963
XLogP
1.58
TPSA
83.39
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
77.74
Supplementary Information
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