SMILES:
COc1cc(OCC(C)C)cc2c1C=CC(C)(C)O2Molecular Processing
Molecular formula
C16H22O3
Molecular weight
262.35
Exact mass
262.1569
XLogP
3.91
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
77.07
Supplementary Information
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