الاسم: product
SMILES:
CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SC3COC(COC(N)=O)C3)C(C)C12Molecular Processing
Molecular formula
C23H27N3O9S
Molecular weight
521.55
Exact mass
521.1468
XLogP
1.69
TPSA
171.53
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
126.16
Supplementary Information
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