SMILES:
COc1cc(Cc2c[n+]([O-])c(N)nc2N)c2c(c1OC)OCC=C2Molecular Processing
Molecular formula
C16H18N4O4
Molecular weight
330.34
Exact mass
330.1328
XLogP
0.89
TPSA
119.56
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
88.9
Supplementary Information
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