Name: (3-aminoethyl-phenoxy)-acetic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)COc1cccc(CCN)c1Molecular Processing
Molecular formula
C14H21NO3
Molecular weight
251.33
Exact mass
251.1521
XLogP
1.91
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
70.54
Supplementary Information
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