SMILES:
CC(C)(C)OC(=O)N1CCc2cc(Br)cc(OCc3ccccc3)c2C1Molecular Processing
Molecular formula
C21H24BrNO3
Molecular weight
418.33
Exact mass
417.094
XLogP
5.32
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
105.26
Supplementary Information
Details werden geladen…
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