SMILES:
O=c1[nH]ncn1-c1ccc(OCC(F)(F)C(F)F)cc1Molecular Processing
Molecular formula
C11H9F4N3O2
Molecular weight
291.2
Exact mass
291.0631
XLogP
1.84
TPSA
59.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
60.63
Supplementary Information
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