SMILES:
Cn1cc(C2=C(c3cn(C)c4c([N+](=O)[O-])cccc34)C(=O)NC2=O)c2ccc(F)cc21Molecular Processing
Molecular formula
C22H15FN4O4
Molecular weight
418.38
Exact mass
418.1077
XLogP
3.28
TPSA
99.17
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
112.41
Supplementary Information
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