CC(=O)NCC1CN(c2ccc(-c3ccc(OCC4(C)Cn5cc([N+](=O)[O-])nc5O4)cc3)c(F)c2)C(=O)O1
SMILES: CC(=O)NCC1CN(c2ccc(-c3ccc(OCC4(C)Cn5cc([N+](=O)[O-])nc5O4)cc3)c(F)c2)C(=O)O1

Molecular Processing

Molecular formula
C25H24FN5O7
Molecular weight
525.49
Exact mass
525.166
XLogP
3.29
TPSA
138.06
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
131.54

Supplementary Information

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