SMILES:
CC1=C(Nc2ncc(F)c(Nc3ccc4c(c3)OCCO4)n2)N(c2ccccc2)CO1Molecular Processing
Molecular formula
C22H20FN5O3
Molecular weight
421.43
Exact mass
421.155
XLogP
4.23
TPSA
80.77
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
113.9
Supplementary Information
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