الاسم: product
SMILES:
CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SC3COC(CO)C3)C(C)C12Molecular Processing
Molecular formula
C22H26N2O8S
Molecular weight
478.52
Exact mass
478.141
XLogP
1.59
TPSA
139.44
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
117.71
Supplementary Information
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