SMILES:
CCCC(Nc1ccc(Cl)c(Cl)c1)C(=O)OCC(C)CMolecular Processing
Molecular formula
C15H21Cl2NO2
Molecular weight
318.24
Exact mass
317.0949
XLogP
4.77
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
84.58
Supplementary Information
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