SMILES:
CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1Molecular Processing
Molecular formula
C15H18O3
Molecular weight
246.31
Exact mass
246.1256
XLogP
1.67
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
67.87
Supplementary Information
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