SMILES:
O=C1CCC(CC(C(=O)O)c2cccc(C(F)(F)F)c2)C1Molecular Processing
Molecular formula
C15H15F3O3
Molecular weight
300.28
Exact mass
300.0973
XLogP
3.63
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
68.79
Supplementary Information
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