SMILES:
O=C1CCN(c2ccncn2)CC1Molecular Processing
Molecular formula
C9H11N3O
Molecular weight
177.21
Exact mass
177.0902
XLogP
0.65
TPSA
46.09
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
48.49
Supplementary Information
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Involved in 2 reactions→