Nombre: product
SMILES:
OC1(c2ncccn2)CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C12H16N2O3
Molecular weight
236.27
Exact mass
236.1161
XLogP
0.98
TPSA
64.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
59.03
Supplementary Information
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