이름: Compound 133
SMILES:
Clc1cc2nc(Cl)n([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)c2cc1ClMolecular Processing
Molecular formula
C33H29Cl3N2O4
Molecular weight
623.96
Exact mass
622.1193
XLogP
8.28
TPSA
54.74
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
42
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.242
Molar refractivity
164.81
Supplementary Information
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