SMILES:
COc1ccc(N2CCN(CCC3OCCc4c(Br)cccc43)CC2)cc1Molecular Processing
Molecular formula
C22H27BrN2O2
Molecular weight
431.37
Exact mass
430.1256
XLogP
4.28
TPSA
24.94
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
112.8
Supplementary Information
Details werden geladen…
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