Compound 40
  CheckMol                        TMF02:r0:m0
MF=C8H12N2 MW=136.20
 10  9  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4880   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236   -2.9759   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3344   -3.7199   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453   -2.9641   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9561   -3.7081   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2669   -2.9523   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5778   -3.6963   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5896   -5.1843   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6014   -6.6722   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
M  END

2D Structure

Suberonitrile

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Chemical Name - Suberonitrile
Mol Weight - 136.197
Smiles -

Property Name	Property Value
Mol Name	Suberonitrile
Molweight	136.197
Monoisotopic Mass	136.100048
Clogp	2.1948
Clogs	-2.9
H Acceptors	2
Total Surface Area	139.48
Relative Psa	0.19444
Polar Surface Area	47.58
Druglikeness	-21.485
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	1
Molecular Flexibility	0.43265
Molecular Complexity	0.44794
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	5
Sp3 Atoms	6
Symmetric Atoms	5
Smiles

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1 — Suberonitrile | 2 — Suberonitrile