SMILES:
O=C(Cc1csc(-c2ncccc2O)n1)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12Molecular Processing
Molecular formula
C17H13ClN4O5S2
Molecular weight
452.9
Exact mass
452.0016
XLogP
1.39
TPSA
132.72
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
106.25
Supplementary Information
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