SMILES:
O=C(O)CC1(O)CC2CCC1C=C2c1ccccc1Molecular Processing
Molecular formula
C16H18O3
Molecular weight
258.32
Exact mass
258.1256
XLogP
2.71
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
72.45
Supplementary Information
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