SMILES:
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)O)ccc3OCC)nc12Molecular Processing
Molecular formula
C18H20N4O4
Molecular weight
356.38
Exact mass
356.1485
XLogP
2.37
TPSA
110.1
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
96.69
Supplementary Information
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