SMILES:
CC(=O)NCC1CN(c2ccc(OCC3(C)Cn4cc([N+](=O)[O-])nc4O3)c(F)c2)C(=O)O1Molecular Processing
Molecular formula
C19H20FN5O7
Molecular weight
449.4
Exact mass
449.1347
XLogP
1.62
TPSA
138.06
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
106.11
Supplementary Information
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