SMILES:
Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccncc1NC(=O)C1CC1Molecular Processing
Molecular formula
C17H22N4O4S
Molecular weight
378.45
Exact mass
378.1362
XLogP
0.95
TPSA
129.09
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.353
Molar refractivity
94.55
Supplementary Information
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