Nombre: 6-(5-Hydroxy-pent-1-ynyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCCc2cc(C#CCCCO)ccc21Molecular Processing
Molecular formula
C19H25NO3
Molecular weight
315.41
Exact mass
315.1834
XLogP
3.5
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
91.54
Supplementary Information
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