SMILES:
O=C1NC(=NS(=O)(=O)c2ccsc2C(=O)O)SC1=Cc1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C16H10N2O7S3
Molecular weight
438.46
Exact mass
437.965
XLogP
2.12
TPSA
131.36
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
102.17
Supplementary Information
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