SMILES:
C#CCCOc1ccc(-c2ccccc2)cc1Molecular Processing
Molecular formula
C16H14O
Molecular weight
222.29
Exact mass
222.1045
XLogP
3.76
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
17
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
0.125
Molar refractivity
70.82
Supplementary Information
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