SMILES:
N#Cc1ccc(N(CCCSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1Molecular Processing
Molecular formula
C18H18N6O3S2
Molecular weight
430.52
Exact mass
430.0882
XLogP
2.18
TPSA
127.13
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
109.44
Supplementary Information
Récupération des détails…
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