SMILES:
COc1ccc(-n2nc(CCCOC(=O)CC(C)=O)cc2-c2ccc(Cl)cc2)cc1Molecular Processing
Molecular formula
C23H23ClN2O4
Molecular weight
426.9
Exact mass
426.1346
XLogP
4.66
TPSA
70.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
115.14
Supplementary Information
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