SMILES:
O=C(O)c1ccc(C2CCCCC2)cc1Molecular Processing
Molecular formula
C13H16O2
Molecular weight
204.27
Exact mass
204.115
XLogP
3.43
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
59.23
Supplementary Information
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