SMILES:
CC(C)(C)OC(=O)N1CCC(c2cc(Cl)ccc2O)CC1Molecular Processing
Molecular formula
C16H22ClNO3
Molecular weight
311.81
Exact mass
311.1288
XLogP
4.16
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
82.9
Supplementary Information
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