SMILES:
O=c1nncc2c3c(cccc13)N=C2c1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C17H8F3N3O
Molecular weight
327.26
Exact mass
327.0619
XLogP
3.49
TPSA
55.21
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
82.55
Supplementary Information
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