SMILES:
COc1ccc2c(c1)C(C(=O)O)CCC2Molecular Processing
Molecular formula
C12H14O3
Molecular weight
206.24
Exact mass
206.0943
XLogP
2.2
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
56.31
Supplementary Information
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