SMILES:
CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC1CCC(C(=O)OCCl)CC1Molecular Processing
Molecular formula
C21H28ClNO6
Molecular weight
425.91
Exact mass
425.1605
XLogP
3.78
TPSA
90.93
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
107.04
Supplementary Information
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