SMILES:
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C(F)(F)F)c(N3CCNCC(O)C3)n2)n1Molecular Processing
Molecular formula
C22H21F3N8O
Molecular weight
470.46
Exact mass
470.179
XLogP
2.37
TPSA
104.88
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
118.51
Supplementary Information
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