SMILES:
CC1(c2cc(NC(=O)c3ncc(C(F)(F)F)cn3)ccc2F)N=C(N)OCC1(F)FMolecular Processing
Molecular formula
C17H13F6N5O2
Molecular weight
433.31
Exact mass
433.0973
XLogP
3.08
TPSA
102.49
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
91.26
Supplementary Information
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