Clc1cc(Br)ccc1OCC1COC2(CCN(CCc3ccccc3)CC2)O1
SMILES: Clc1cc(Br)ccc1OCC1COC2(CCN(CCc3ccccc3)CC2)O1

Molecular Processing

Molecular formula
C22H25BrClNO3
Molecular weight
466.8
Exact mass
465.0706
XLogP
4.93
TPSA
30.93
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
114.02

Supplementary Information

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