SMILES:
CC1(c2cc(NC(=O)c3ccn(C(F)F)n3)ccc2F)N=C(N)OCC1(F)FMolecular Processing
Molecular formula
C16H14F5N5O2
Molecular weight
403.31
Exact mass
403.1068
XLogP
2.87
TPSA
94.53
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
87.71
Supplementary Information
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