CCOC1CNN=C(c2cccc(C(F)(F)F)c2)O1
SMILES: CCOC1CNN=C(c2cccc(C(F)(F)F)c2)O1

Molecular Processing

Molecular formula
C12H13F3N2O2
Molecular weight
274.24
Exact mass
274.0929
XLogP
2.35
TPSA
42.85
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
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
0.417
Molar refractivity
62.48

Supplementary Information

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