COc1c(OCC(F)(F)F)ccnc1C
SMILES: COc1c(OCC(F)(F)F)ccnc1C

Molecular Processing

Molecular formula
C9H10F3NO2
Molecular weight
221.18
Exact mass
221.0664
XLogP
2.34
TPSA
31.35
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
47.08

Supplementary Information

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