SMILES:
CCC(CCC#N)N1C(=O)C(CC(=O)O)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1Molecular Processing
Molecular formula
C25H26Cl2N2O3
Molecular weight
473.4
Exact mass
472.132
XLogP
6.22
TPSA
81.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
124.52
Supplementary Information
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