SMILES:
CCOC(=O)C1=Cc2cc(Cl)cc(C#CC(C)C)c2OC1C(F)(F)FMolecular Processing
Molecular formula
C18H16ClF3O3
Molecular weight
372.77
Exact mass
372.074
XLogP
4.62
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
88.25
Supplementary Information
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