SMILES:
[N-]=[N+]=NCCCn1cnc2c(OCc3ccc(CNC(=O)C(F)(F)F)cc3)nc(N)nc21Molecular Processing
Molecular formula
C18H18F3N9O2
Molecular weight
449.4
Exact mass
449.1536
XLogP
2.87
TPSA
156.71
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
107.04
Supplementary Information
Details werden geladen…
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