SMILES:
N#CNc1ccccc1Molecular Processing
Molecular formula
C7H6N2
Molecular weight
118.14
Exact mass
118.0531
XLogP
1.58
TPSA
35.82
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
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
Molar refractivity
35.68
Supplementary Information
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