이름: 5-(4-phenylacetyl-phenyl)-2-oxa-4-aza-bicyclo[3.1.1]heptan-3-one
SMILES:
O=C1NC2(c3ccc(C(=O)Cc4ccccc4)cc3)CC(C2)O1Molecular Processing
Molecular formula
C19H17NO3
Molecular weight
307.35
Exact mass
307.1208
XLogP
3.21
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
85.24
Supplementary Information
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