Name: enyne
SMILES:
CC(=O)C#CCCC/C=C/c1ccc(Cl)cc1Molecular Processing
Molecular formula
C15H15ClO
Molecular weight
246.74
Exact mass
246.0811
XLogP
4.12
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
72.79
Supplementary Information
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