SMILES:
O=C(Cn1nnnc1-c1ccsc1)OCCCCCOMolecular Processing
Molecular formula
C12H16N4O3S
Molecular weight
296.35
Exact mass
296.0943
XLogP
1.11
TPSA
90.13
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.03
Supplementary Information
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