SMILES:
COC(=O)c1cc(N)c(Oc2cc(OC)ccc2Cl)c(OCCOC2CCCCO2)c1Molecular Processing
Molecular formula
C22H26ClNO7
Molecular weight
451.9
Exact mass
451.1398
XLogP
4.43
TPSA
98.47
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
115.31
Supplementary Information
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