SMILES:
COCCOCCOc1cc2nncc(Nc3cc(O)c(C)cc3F)c2cc1OCMolecular Processing
Molecular formula
C21H24FN3O5
Molecular weight
417.44
Exact mass
417.17
XLogP
3.58
TPSA
94.96
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
110.36
Supplementary Information
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