SMILES:
COc1ncnc2c1C(c1cccc([N+](=O)[O-])c1)C(C(=O)OC(C)C)=C(C)N2Molecular Processing
Molecular formula
C19H20N4O5
Molecular weight
384.39
Exact mass
384.1434
XLogP
3.18
TPSA
116.48
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
101.07
Supplementary Information
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