SMILES:
COCOc1cc(CO)ccc1FMolecular Processing
Molecular formula
C9H11FO3
Molecular weight
186.18
Exact mass
186.0692
XLogP
1.3
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
44.83
Supplementary Information
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