Nom: 1-(3-pyridyl)-4-hydroxy-8-(2-tetrahydropyranyloxy)-1-octyne
SMILES:
OC(CC#Cc1cccnc1)CCCCOC1CCCCO1Molecular Processing
Molecular formula
C18H25NO3
Molecular weight
303.4
Exact mass
303.1834
XLogP
2.9
TPSA
51.58
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
85.13
Supplementary Information
Récupération des détails…
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