Nombre: product
SMILES:
CCOC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)s1Molecular Processing
Molecular formula
C28H22N2O6S2
Molecular weight
546.63
Exact mass
546.0919
XLogP
7.35
TPSA
107.77
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
146.19
Supplementary Information
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