SMILES:
COc1ccc(C2C(=O)CCc3ccccc32)cc1Molecular Processing
Molecular formula
C17H16O2
Molecular weight
252.31
Exact mass
252.115
XLogP
3.34
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
74.61
Supplementary Information
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