Nombre: acetylene
SMILES:
COc1ccc(C#Cc2ccncc2)cc1OC1CCCC1Molecular Processing
Molecular formula
C19H19NO2
Molecular weight
293.37
Exact mass
293.1416
XLogP
3.81
TPSA
31.35
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
86.1
Supplementary Information
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