SMILES:
N#Cc1ccc([N+](=O)[O-])c(Nc2nc(Cl)c3[nH]c(=O)n(C4CCOCC4)c3n2)c1Molecular Processing
Molecular formula
C17H14ClN7O4
Molecular weight
415.8
Exact mass
415.0796
XLogP
2.65
TPSA
151.76
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
103.34
Supplementary Information
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