SMILES:
CCCCCCCCCC(=O)OC(Cn1ccnc1)c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C21H28Cl2N2O2
Molecular weight
411.37
Exact mass
410.1528
XLogP
6.62
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
110.13
Supplementary Information
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