SMILES:
O=C(NC(CC=Cc1ccc(C2(O)CCOCC2)cc1)C(=O)O)c1c(Cl)cccc1ClMolecular Processing
Molecular formula
C23H23Cl2NO5
Molecular weight
464.35
Exact mass
463.0953
XLogP
4.28
TPSA
95.86
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
119.39
Supplementary Information
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