الاسم: mixture
SMILES:
COc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)nc(NCc2cccc(OCCCNC(=O)OC(C)(C)C)c2)n1Molecular Processing
Molecular formula
C33H36N6O6S
Molecular weight
644.75
Exact mass
644.2417
XLogP
5.64
TPSA
146.56
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
46
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
174.45
Supplementary Information
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