이름: 77
SMILES:
CC(=O)OC[C@H]1O[C@@H](n2c(Cl)nc3ccc(N)cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C18H20ClN3O7
Molecular weight
425.83
Exact mass
425.099
XLogP
1.6
TPSA
131.97
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
100.81
Supplementary Information
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