SMILES:
CCC1=CCC(C)(OC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)O1Molecular Processing
Molecular formula
C16H20ClF3O3
Molecular weight
352.78
Exact mass
352.1053
XLogP
4.92
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.688
Molar refractivity
79.33
Supplementary Information
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