SMILES:
COC(=O)C1(OCc2ccccc2)CC1Molecular Processing
Molecular formula
C12H14O3
Molecular weight
206.24
Exact mass
206.0943
XLogP
1.91
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
55.21
Supplementary Information
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