SMILES:
O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)C1CC1Molecular Processing
Molecular formula
C18H15N3O
Molecular weight
289.34
Exact mass
289.1215
XLogP
3.65
TPSA
54.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
86.33
Supplementary Information
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