Nombre: compound
SMILES:
O=C1CCCc2c(O)cc3c(c21)CCCC3Molecular Processing
Molecular formula
C14H16O2
Molecular weight
216.28
Exact mass
216.115
XLogP
2.79
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
62.02
Supplementary Information
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