SMILES:
CC1(C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c2c(Cl)cccc2Cl)CC(c2ccccc2)=NO1Molecular Processing
Molecular formula
C23H20Cl2N2O7
Molecular weight
507.33
Exact mass
506.0648
XLogP
3.26
TPSA
131.36
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
123.02
Supplementary Information
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