SMILES:
O=C(Nc1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)N1CCC(O)C1Molecular Processing
Molecular formula
C20H22FN7O2
Molecular weight
411.44
Exact mass
411.1819
XLogP
2.2
TPSA
98.89
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
107.72
Supplementary Information
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