SMILES:
Cc1cc(N)ccc1C#NMolecular Processing
Molecular formula
C8H8N2
Molecular weight
132.17
Exact mass
132.0687
XLogP
1.45
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
40.31
Supplementary Information
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