CCc1ccc(C#Cc2ccc(C=O)cc2)cc1
SMILES: CCc1ccc(C#Cc2ccc(C=O)cc2)cc1

Molecular Processing

Molecular formula
C17H14O
Molecular weight
234.3
Exact mass
234.1045
XLogP
3.46
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
73.63

Supplementary Information

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