SMILES:
Oc1ccc(CCCCn2ccnn2)cc1Molecular Processing
Molecular formula
C12H15N3O
Molecular weight
217.27
Exact mass
217.1215
XLogP
2.01
TPSA
50.94
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
61.07
Supplementary Information
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