SMILES:
NCCc1c(C(F)(F)F)nn2ccc3c(c12)CCO3Molecular Processing
Molecular formula
C12H12F3N3O
Molecular weight
271.24
Exact mass
271.0932
XLogP
1.79
TPSA
52.55
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
62.15
Supplementary Information
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