Chem 2 Cyano 4 Methyl Biphenyl Pacific

Compound 129
  CheckMol                        TMF02:r0:m0
MF=C14H11N MW=193.25
 15 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2915   -0.7465   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5831   -1.4811   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5712   -2.9741   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8746   -0.7228   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2560   -3.7087   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8628   -3.7206   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1661   -1.4574   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0592   -2.9385   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2441   -5.2017   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1543   -2.9622   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4577   -0.6991   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3745   -3.6732   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0711   -5.9363   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3863   -5.1661   -0.0000 C   0 00  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 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6  1  0  0  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  6  9 02  0  1  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  8 12  1  0  0  0  0
  9 13 01  0  1  0  0
 10 14 02  0  1  0  0
 13 15 02  0  1  0  0
  8 11 01  0  1  0  0
 14 15 01  0  1  0  0
M  END

2 Cyano 4 Methyl Biphenyl

₹ 0.00 0.00

Chemical Name - 2 Cyano 4 Methyl Biphenyl
Mol Weight - 193.248
Smiles - Cc(cc1)cc(C#N)c1-c1ccccc1

Property Name	Property Value
Mol Name	2 Cyano 4 Methyl Biphenyl
Molweight	193.248
Monoisotopic Mass	193.089149
Clogp	3.4983
Clogs	-4.819
H Acceptors	1
Total Surface Area	166.99
Relative Psa	0.081202
Polar Surface Area	23.79
Druglikeness	-6.16
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.3148
Molecular Complexity	0.67279
Fragments	1
Non H Atoms	15
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Symmetric Atoms	2
Smiles	Cc(cc1)cc(C#N)c1-c1ccccc1
InChIKey	InChI=1S/C14H11N/c1-11-7-8-14(13(9-11)10-15)12-5-3-2-4-6-12/h2-9H,1H3
InChI	QMSDNBJQBPHACW-UHFFFAOYSA-N

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1 - 2 Cyano 4 Methyl Biphenyl
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2 Cyano 4 Methyl Biphenyl