SMILES:
CCCCCCCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccco1Molecular Processing
Molecular formula
C22H24ClNO4
Molecular weight
401.89
Exact mass
401.1394
XLogP
6.31
TPSA
65.47
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
108.07
Supplementary Information
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