SMILES:
CN(C(=O)Oc1ccc(Cl)cc1)[C@H]1CC[C@H](OCCCCBr)CC1Molecular Processing
Molecular formula
C18H25BrClNO3
Molecular weight
418.76
Exact mass
417.0706
XLogP
5.27
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
100.26
Supplementary Information
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