Name: compound ( 6 )
SMILES:
Cl.NCC1(CC(=O)OCc2ccccc2)CCCCC1Molecular Processing
Molecular formula
C16H24ClNO2
Molecular weight
297.83
Exact mass
297.1496
XLogP
3.45
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.562
Molar refractivity
82.68
Supplementary Information
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