SMILES:
COC(=O)COc1ccc(CN)c(F)c1Molecular Processing
Molecular formula
C10H12FNO3
Molecular weight
213.21
Exact mass
213.0801
XLogP
0.84
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
51.8
Supplementary Information
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