SMILES:
CC(C)C(C(=O)OCc1ccccc1C=C(Cl)Cl)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C20H19Cl3O2
Molecular weight
397.73
Exact mass
396.0451
XLogP
6.6
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
104.95
Supplementary Information
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