SMILES:
CCC(CC)N1C(=O)C(C)(CC(=O)O)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1Molecular Processing
Molecular formula
C25H29Cl2NO3
Molecular weight
462.42
Exact mass
461.1524
XLogP
6.72
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
124.58
Supplementary Information
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