SMILES:
COCCNc1ccc(C(=O)c2sc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C24H29N7O4S
Molecular weight
511.61
Exact mass
511.2002
XLogP
3.42
TPSA
138.89
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
142.86
Supplementary Information
Récupération des détails…
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