SMILES:
O=C1OCCN1CCN1CCN(C2Cc3cc(Br)ccc3Oc3ccccc32)CC1Molecular Processing
Molecular formula
C23H26BrN3O3
Molecular weight
472.38
Exact mass
471.1158
XLogP
3.91
TPSA
45.25
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
118.04
Supplementary Information
Details werden geladen…
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