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Compound 132
  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
    1.2932   -0.7474   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5864   -1.4949   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8796   -0.7356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5745   -2.9898   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1728   -1.4830   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8677    0.7830   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2576   -3.7254   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8677   -3.7372   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4660   -0.7237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1609    1.5424   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2457   -5.2203   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8559   -5.2321   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4542    0.7949   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5389   -5.9677   -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  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  5  9 01  0  1  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  8 12 01  0  1  0  0
  9 13 02  0  1  0  0
 10 14 02  0  1  0  0
 12 15 02  0  1  0  0
 11 14 01  0  1  0  0
 13 15 01  0  1  0  0
M  END

Diphenylacetonitrile

₹ 0.00 0.00

Chemical Name - Diphenylacetonitrile
Mol Weight - 193.248
Smiles - N#CC(c1ccccc1)c1ccccc1

Property Name	Property Value
Mol Name	Diphenylacetonitrile
Molweight	193.248
Monoisotopic Mass	193.089149
Clogp	3.1923
Clogs	-3.416
H Acceptors	1
Total Surface Area	167.23
Relative Psa	0.081086
Polar Surface Area	23.79
Druglikeness	-5.4523
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.38733
Molecular Complexity	0.48589
Fragments	1
Non H Atoms	15
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Symmetric Atoms	8
Smiles	N#CC(c1ccccc1)c1ccccc1
InChIKey	InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChI	NEBPTMCRLHKPOB-UHFFFAOYSA-N

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Diphenylacetonitrile