이름: title compound
SMILES:
NCc1cnc(C(F)F)c(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)[nH]2)c1Molecular Processing
Molecular formula
C16H12F5N5O
Molecular weight
385.3
Exact mass
385.0962
XLogP
3.04
TPSA
89.59
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
85.27
Supplementary Information
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