COc1ccc2c(c1)C1(CCOCC1)C(=O)CC2
SMILES: COc1ccc2c(c1)C1(CCOCC1)C(=O)CC2

Molecular Processing

Molecular formula
C15H18O3
Molecular weight
246.31
Exact mass
246.1256
XLogP
2.26
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
68.05

Supplementary Information

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