SMILES:
CCC#CC1(C(F)(F)F)OC(=O)Nc2ccc(OC)cc21Molecular Processing
Molecular formula
C14H12F3NO3
Molecular weight
299.25
Exact mass
299.0769
XLogP
3.43
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
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
0.357
Molar refractivity
68.9
Supplementary Information
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