SMILES:
N#CN=C(Oc1ccccc1)N1CCCCC1Molecular Processing
Molecular formula
C13H15N3O
Molecular weight
229.28
Exact mass
229.1215
XLogP
2.39
TPSA
48.62
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
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
0.385
Molar refractivity
65.54
Supplementary Information
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