Chem E 3 1h Indol 3 Ylacrylicacid Dsrpl

Compound 275
  CheckMol                        TMF02:r0:m0
MF=C11H9NO2 MW=187.20
 14 15  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4978   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3314   -2.2468   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2839   -2.2468   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5796   -1.4860   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8754   -2.2349   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.0180   -3.7208   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2424   -1.6048   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.4802   -4.0180   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9957   -4.8264   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.2410   -2.7104   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.9319   -5.4445   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.4474   -6.2529   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9096   -6.5501   -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 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  2  0  0
  7 10 01  0  1  0  0
  8 11 01  0  1  0  0
  9 12 01  0  1  0  0
 10 13 02  0  1  0  0
 12 14 02  0  1  0  0
  9 11 01  0  1  0  0
 13 14 01  0  1  0  0
M  END

(E)-3-(1H-indol-3-yl)acrylicacid

₹ 0.00 0.00

Chemical Name - (E)-3-(1H-indol-3-yl)acrylicacid
Mol Weight - 187.197
Smiles - OC(/C=C/c1c[nH]c2c1cccc2)=O

Property Name	Property Value
Mol Name	(E)-3-(1H-indol-3-yl)acrylicacid
Molweight	187.197
Monoisotopic Mass	187.063329
Clogp	1.5133
Clogs	-2.524
H Acceptors	3
H Donors	2
Total Surface Area	148.03
Relative Psa	0.27109
Polar Surface Area	53.09
Druglikeness	1.2325
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.28881
Molecular Complexity	0.6715
Fragments	1
Non H Atoms	14
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	OC(/C=C/c1c[nH]c2c1cccc2)=O
InChIKey	InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)
InChI	PLVPPLCLBIEYEA-UHFFFAOYSA-N

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(E)-3-(1H-indol-3-yl)acrylicacid