SMILES:
CC(C)OC(Cc1ccc(CCOC(=O)Nc2ccc(Cl)cc2Cl)cc1)C(=O)OMolecular Processing
Molecular formula
C21H23Cl2NO5
Molecular weight
440.32
Exact mass
439.0953
XLogP
5.21
TPSA
84.86
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
112.93
Supplementary Information
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