SMILES:
CC(C)OC(Cc1ccc(CCOC(=O)Nc2cccc(Cl)c2)cc1)C(=O)OMolecular Processing
Molecular formula
C21H24ClNO5
Molecular weight
405.88
Exact mass
405.1343
XLogP
4.55
TPSA
84.86
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
107.92
Supplementary Information
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