SMILES:
COC(=O)c1cc(C2SCCS2)cnc1C(=O)OCMolecular Processing
Molecular formula
C12H13NO4S2
Molecular weight
299.37
Exact mass
299.0286
XLogP
2.13
TPSA
65.49
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
74.57
Supplementary Information
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