Chem Indole 3 Propionic Acid

Compound 123
  CheckMol                        TMF02:r0:m0
MF=C11H11NO2 MW=189.21
 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  1  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

Indole-3-propionic acid

₹ 0.00 0.00

Chemical Name - Indole-3-propionic acid
Mol Weight - 189.213
Smiles - OC(CCc1c[nH]c2c1cccc2)=O

Property Name	Property Value
Mol Name	Indole-3-propionic acid
Molweight	189.213
Monoisotopic Mass	189.078979
Clogp	1.6366
Clogs	-2.389
H Acceptors	3
H Donors	2
Total Surface Area	149.05
Relative Psa	0.26924
Polar Surface Area	53.09
Druglikeness	-1.0387
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.47287
Molecular Complexity	0.6715
Fragments	1
Non H Atoms	14
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	3
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	OC(CCc1c[nH]c2c1cccc2)=O
InChIKey	InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
InChI	GOLXRNDWAUTYKT-UHFFFAOYSA-N

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Indole-3-propionic acid