SMILES:
Cc1cc(C(C)C)c(S(C)(=O)=O)cc1C(=O)N=C(N)NMolecular Processing
Molecular formula
C13H19N3O3S
Molecular weight
297.38
Exact mass
297.1147
XLogP
0.94
TPSA
115.61
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
78.52
Supplementary Information
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