Name: compound 5e
SMILES:
O=Cc1cn2nccc(N3CCOCC3)c2n1Molecular Processing
Molecular formula
C11H12N4O2
Molecular weight
232.24
Exact mass
232.096
XLogP
0.38
TPSA
59.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
61.41
Supplementary Information
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