Name: product
SMILES:
O=[N+]([O-])c1cc(-c2cnc(C(O)(C3CC3)C3CC3)s2)cc(N2CCOCC2)c1Molecular Processing
Molecular formula
C20H23N3O4S
Molecular weight
401.49
Exact mass
401.1409
XLogP
3.56
TPSA
88.73
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
106.58
Supplementary Information
Details werden geladen…
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