SMILES:
CCOC(=O)c1nc(Cl)nc(Nc2cc(C)[nH]n2)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C11H11ClN6O4
Molecular weight
326.7
Exact mass
326.053
XLogP
1.99
TPSA
135.93
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
76.26
Supplementary Information
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