SMILES:
C=CCN1N=C(c2ccc3c(c2)N(S(C)(=O)=O)CCO3)CCC1=OMolecular Processing
Molecular formula
C16H19N3O4S
Molecular weight
349.41
Exact mass
349.1096
XLogP
1.36
TPSA
79.28
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
91.81
Supplementary Information
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