SMILES:
CCCOc1ccccc1-c1nc2nc(SC)ncc2c(=O)[nH]1Molecular Processing
Molecular formula
C16H16N4O2S
Molecular weight
328.4
Exact mass
328.0994
XLogP
2.89
TPSA
80.76
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
90.96
Supplementary Information
Récupération des détails…
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