Compound 197
  CheckMol                        TMF02:r0:m0
MF=C7H7NO2 MW=137.14
 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    1.5109   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    2.2663   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2748    2.2663   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6322    1.5227   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5614    1.5345   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2630    3.7772   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8480    2.3017   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5496    4.5444   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8362    3.8126   -0.0000 N   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  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 10 01  0  1  0  0
M  END

2D Structure

Methyl Isonicotinate

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Chemical Name - Methyl Isonicotinate
Mol Weight - 137.138
Smiles - COC(c1ccncc1)=O

Property Name	Property Value
Mol Name	Methyl Isonicotinate
Molweight	137.138
Monoisotopic Mass	137.047679
Clogp	0.5717
Clogs	-0.962
H Acceptors	3
Total Surface Area	112.03
Relative Psa	0.30358
Polar Surface Area	39.19
Druglikeness	-3.6823
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.41648
Molecular Complexity	0.55452
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	2
Aromatic Nitrogens	1
Smiles	COC(c1ccncc1)=O
InChIKey	InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3
InChI	OLXYLDUSSBULGU-UHFFFAOYSA-N

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1 — Methyl Isonicotinate | 2 — Methyl Isonicotinate