Chem E 3 Pyridin 3 Ylacrylicacid Dsrpl

Compound 144
  CheckMol                        TMF02:r0:m0
MF=C8H7NO2 MW=149.15
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4974   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -2.2461   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835   -2.2461   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788   -1.4855   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8742   -2.2342   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1695   -1.4736   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8623   -3.7315   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4648   -2.2223   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.1576   -4.4802   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4530   -3.7197   -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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7 02  0  1  0  0
  6  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
  9 11 02  0  1  0  0
 10 11 01  0  1  0  0
M  END

(E)-3-(pyridin-3-yl)acrylicacid

₹ 0.00 0.00

Chemical Name - (E)-3-(pyridin-3-yl)acrylicacid
Mol Weight - 149.149
Smiles - OC(/C=C/c1cnccc1)=O

Property Name	Property Value
Mol Name	(E)-3-(pyridin-3-yl)acrylicacid
Molweight	149.149
Monoisotopic Mass	149.047679
Clogp	0.473
Clogs	-1.204
H Acceptors	3
H Donors	1
Total Surface Area	122.62
Relative Psa	0.30264
Polar Surface Area	50.19
Druglikeness	0.34271
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.72727
Molecular Flexibility	0.46452
Molecular Complexity	0.6089
Fragments	1
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	OC(/C=C/c1cnccc1)=O
InChIKey	InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)
InChI	VUVORVXMOLQFMO-UHFFFAOYSA-N

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1 - (E)-3-(pyridin-3-yl)acrylicacid
2 - (E)-3-(pyridin-3-yl)acrylicacid

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(E)-3-(pyridin-3-yl)acrylicacid