이름: (±)-trans-{4-[5-(4-benzyloxy-phenyl)-6-butyl-pyridazin-3-yloxymethyl]-pyrrolidin-3-yl}-methanol dihydrochloride
SMILES:
CCCCc1nnc(OC[C@@H]2CNC[C@H]2CO)cc1-c1ccc(OCc2ccccc2)cc1.Cl.ClMolecular Processing
Molecular formula
C27H35Cl2N3O3
Molecular weight
520.5
Exact mass
519.2055
XLogP
5.12
TPSA
76.5
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.407
Molar refractivity
143.78
Supplementary Information
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