SMILES:
COc1ccc2c(c1)C=CC(CC(=O)[O-])C2Molecular Processing
Molecular formula
C13H13O3-
Molecular weight
217.24
Exact mass
217.087
XLogP
1.02
TPSA
49.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
58.85
Supplementary Information
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