Compound 112
  CheckMol                        TMF02:r0:m0
MF=C10H9N MW=143.19
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2917    0.7584   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4931   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5833    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2798    2.2752   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2798   -2.2397   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3272   -2.2278   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715   -1.4694   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8750    0.7821   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5715    3.0455   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8631    2.2989   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  1  0  0
  1  3 02  0  1  0  0
  2  4 01  0  2  0  0
  2  5 02  0  1  0  0
  3  6 01  0  1  0  0
  3  7  1  0  0  0  0
  4  8 01  0  1  0  0
  4  9 02  0  1  0  0
  5 10 01  0  1  0  0
  9 11 01  0  1  0  0
  6  8 02  0  1  0  0
 10 11 02  0  1  0  0
M  END

2D Structure

Quinaldine

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Chemical Name - Quinaldine
Mol Weight - 143.188
Smiles - Cc1nc2ccccc2cc1

Property Name	Property Value
Mol Name	Quinaldine
Molweight	143.188
Monoisotopic Mass	143.073499
Clogp	2.3735
Clogs	-2.69
H Acceptors	1
Total Surface Area	118.88
Relative Psa	0.092278
Polar Surface Area	12.89
Druglikeness	-1.995
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.63636
Molecular Complexity	0.64864
Fragments	1
Non H Atoms	11
Non Ch Atoms	1
Electronegative Atoms	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Aromatic Nitrogens	1
Smiles	Cc1nc2ccccc2cc1
InChIKey	InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
InChI	SMUQFGGVLNAIOZ-UHFFFAOYSA-N

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