SMILES:
COC(=O)[C@H](Cc1ccc(-c2ccccc2OCC#N)cc1)NC(=O)c1c(Cl)cccc1ClMolecular Processing
Molecular formula
C25H20Cl2N2O4
Molecular weight
483.35
Exact mass
482.08
XLogP
5.08
TPSA
88.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
126.42
Supplementary Information
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