SMILES:
COc1nccnc1C(=O)N1CC(C)(C)Oc2ccc([N+](=O)[O-])cc21Molecular Processing
Molecular formula
C16H16N4O5
Molecular weight
344.33
Exact mass
344.1121
XLogP
2.21
TPSA
107.69
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
88.06
Supplementary Information
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