SMILES:
CN(C(=O)Oc1ccc(Cl)cc1)[C@H]1CC[C@H](OCCCCCBr)CC1Molecular Processing
Molecular formula
C19H27BrClNO3
Molecular weight
432.79
Exact mass
431.0863
XLogP
5.66
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
25
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
0.632
Molar refractivity
104.88
Supplementary Information
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