SMILES:
COc1ccc2c(c1)CCC1OC21c1ccccc1Molecular Processing
Molecular formula
C17H16O2
Molecular weight
252.31
Exact mass
252.115
XLogP
3.28
TPSA
21.76
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
73.41
Supplementary Information
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