SMILES:
COC1(c2ccc(Cl)c(Cc3ccc4c(c3)N(Cc3ccccc3)CCO4)c2)OC(CO)C(O)C(O)C1OMolecular Processing
Molecular formula
C29H32ClNO7
Molecular weight
542.03
Exact mass
541.1867
XLogP
2.6
TPSA
111.85
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
142.35
Supplementary Information
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