SMILES:
CC(=O)OCOC(=O)N1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21Molecular Processing
Molecular formula
C27H31Cl2N3O6
Molecular weight
564.47
Exact mass
563.159
XLogP
4.91
TPSA
88.62
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
145.21
Supplementary Information
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