名称: 3-(4-Phenylbutyl)-3,9-diaza-bicyclo[3.3.1]nonane-2,4-dione
SMILES:
O=C1C2CCCC(N2)C(=O)N1CCCCc1ccccc1Molecular Processing
Molecular formula
C17H22N2O2
Molecular weight
286.37
Exact mass
286.1681
XLogP
1.89
TPSA
49.41
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
80.66
Supplementary Information
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