CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)C#CCCCO
名称: tert-butyl 6-(5-hydroxypent-1-ynyl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)C#CCCCO

Molecular 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

InChIKey: GKZKGOWBYJQQJI-UHFFFAOYSA-N
同義語
SCHEMBL5637695GKZKGOWBYJQQJI-UHFFFAOYSA-N6-(5-Hydroxy-pent-1-ynyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester
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