SMILES:
Cc1cn(CC2CC(c3ccc(-c4ccc(N5CC(CO)OC5=O)cc4F)cc3)=NO2)nn1Molecular Processing
Molecular formula
C23H22FN5O4
Molecular weight
451.46
Exact mass
451.1656
XLogP
2.9
TPSA
102.07
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
117.32
Supplementary Information
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