SMILES:
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2nsc3ccccc23)CC1Molecular Processing
Molecular formula
C22H23N5O4S
Molecular weight
453.52
Exact mass
453.1471
XLogP
3
TPSA
92.05
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
123.86
Supplementary Information
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