SMILES:
COc1ccc(-c2oc3ccc(N)cc3c(=O)c2OCc2ccccc2)cc1.ClMolecular Processing
Molecular formula
C23H20ClNO4
Molecular weight
409.87
Exact mass
409.1081
XLogP
5.05
TPSA
74.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.087
Molar refractivity
116.91
Supplementary Information
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