Nombre: product
SMILES:
COC(=O)C1(C(=O)OC)Oc2cc3c(c(NCC(O)c4cccc(Cl)c4)c2O1)CCCC3.ClMolecular Processing
Molecular formula
C23H25Cl2NO7
Molecular weight
498.36
Exact mass
497.1008
XLogP
3.6
TPSA
103.32
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.391
Molar refractivity
123.25
Supplementary Information
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