SMILES:
N#CCc1cc(C#N)ccc1C1(O)CCCn2cncc21Molecular Processing
Molecular formula
C16H14N4O
Molecular weight
278.31
Exact mass
278.1168
XLogP
1.85
TPSA
85.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
74.93
Supplementary Information
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