SMILES:
CCn1ncc(C(=O)c2ccc3c(c2C)S(=O)(=O)CCS3(=O)=O)c1OMolecular Processing
Molecular formula
C15H16N2O6S2
Molecular weight
384.44
Exact mass
384.045
XLogP
0.71
TPSA
123.4
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
88.28
Supplementary Information
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