SMILES:
N#CC1C=CC=CC=C1Molecular Processing
Molecular formula
C8H7N
Molecular weight
117.15
Exact mass
117.0578
XLogP
1.81
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
36.52
Supplementary Information
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