C[C@H]1[C@@H](O)C2(CC2)C(=O)N1c1ccc(C#N)c(C(F)(F)F)c1
SMILES: C[C@H]1[C@@H](O)C2(CC2)C(=O)N1c1ccc(C#N)c(C(F)(F)F)c1

Molecular Processing

Molecular formula
C15H13F3N2O2
Molecular weight
310.27
Exact mass
310.0929
XLogP
2.45
TPSA
64.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
70.78

Supplementary Information

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