Compound 205
  CheckMol                        TMF02:r0:m0
MF=C8H9NO MW=135.17
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4900   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3244   -2.2231   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2771   -2.2231   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6370   -1.4545   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3362   -3.7131   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5660   -1.4663   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9496   -2.1876   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6488   -4.4462   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9614   -3.6776   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 10 01  0  1  0  0
M  END

2D Structure

3-Propionyl Pyridine

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Chemical Name - 3-Propionyl Pyridine
Mol Weight - 135.165
Smiles - CCC(c1cnccc1)=O

Property Name	Property Value
Mol Name	3-Propionyl Pyridine
Molweight	135.165
Monoisotopic Mass	135.068414
Clogp	0.9843
Clogs	-1.775
H Acceptors	2
Total Surface Area	115.79
Relative Psa	0.20736
Polar Surface Area	29.96
Druglikeness	-0.32394
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.44499
Molecular Complexity	0.65162
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Aromatic Nitrogens	1
Smiles	CCC(c1cnccc1)=O
InChIKey	InChI=1S/C8H9NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
InChI	VDNKJMUNLKAGAM-UHFFFAOYSA-N

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1 — 3-Propionyl Pyridine | 2 — 3-Propionyl Pyridine