SMILES:
O=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(OCCN2CC[C@@H](O)C2)cc1Molecular Processing
Molecular formula
C23H24ClN3O4
Molecular weight
441.92
Exact mass
441.1455
XLogP
2.91
TPSA
76.82
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
118.18
Supplementary Information
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