이름: 5-[4-(2-bromo-2-phenyl-acetyl)-phenyl]-2-oxa-4-aza-bicyclo[3.1.1]heptan-3-one
SMILES:
O=C1NC2(c3ccc(C(=O)C(Br)c4ccccc4)cc3)CC(C2)O1Molecular Processing
Molecular formula
C19H16BrNO3
Molecular weight
386.25
Exact mass
385.0314
XLogP
4.1
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
93.2
Supplementary Information
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