CC(CC#N)C(C#N)(c1cccc(C(F)(F)F)c1)N1CCOCC1
SMILES: CC(CC#N)C(C#N)(c1cccc(C(F)(F)F)c1)N1CCOCC1

Molecular Processing

Molecular formula
C17H18F3N3O
Molecular weight
337.35
Exact mass
337.1402
XLogP
3.31
TPSA
60.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
80.52

Supplementary Information

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