이름: 4-(4,4-dimethyl-2-oxo-pyrrolidin-3-yloxy)-2-trifluoromethyl-benzonitrile
SMILES:
CC1(C)CNC(=O)C1Oc1ccc(C#N)c(C(F)(F)F)c1Molecular Processing
Molecular formula
C14H13F3N2O2
Molecular weight
298.26
Exact mass
298.0929
XLogP
2.48
TPSA
62.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
67.37
Supplementary Information
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