SMILES:
COC(=O)c1ccc(C#CC2(N)CCCCC2)cc1Molecular Processing
Molecular formula
C16H19NO2
Molecular weight
257.33
Exact mass
257.1416
XLogP
2.49
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
74.66
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→