SMILES:
CC(C)(C)OC(=O)N1CCOC(Cc2cccc(Br)c2)C1Molecular Processing
Molecular formula
C16H22BrNO3
Molecular weight
356.26
Exact mass
355.0783
XLogP
3.63
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
85.39
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→