SMILES:
CCCCCCOc1ccc(-c2ncc(C#N)cn2)cc1Molecular Processing
Molecular formula
C17H19N3O
Molecular weight
281.36
Exact mass
281.1528
XLogP
3.97
TPSA
58.8
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
21
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
0.353
Molar refractivity
81.82
Supplementary Information
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