Name: 3-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-1-(6-methylpyridin-3-yl)-2-propyn-1-one
SMILES:
Cc1ccc(C(=O)C#CC2(O)CCC3(CC2)OCCO3)cn1Molecular Processing
Molecular formula
C17H19NO4
Molecular weight
301.34
Exact mass
301.1314
XLogP
1.62
TPSA
68.65
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
79.13
Supplementary Information
Details werden geladen…
An 5 Reaktionen beteiligt→