이름: 3-(4-Chloro-benzyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(OCc2ccc(Cl)cc2)C1Molecular Processing
Molecular formula
C16H22ClNO3
Molecular weight
311.81
Exact mass
311.1288
XLogP
3.87
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
82.45
Supplementary Information
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