SMILES:
CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](OCCCCCCCBr)CC1Molecular Processing
Molecular formula
C19H36BrNO3
Molecular weight
406.41
Exact mass
405.1879
XLogP
5.53
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
24
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.947
Molar refractivity
102.87
Supplementary Information
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