Chem E 3 1h Indol 3 Ylacrylicacid Dsrpl | Cheminformatics
2D Structure

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


  • SKU Code: CH141413
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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
Molweight187.197
Monoisotopic Mass187.063329
Clogp1.5133
Clogs-2.524
H Acceptors3
H Donors2
Total Surface Area148.03
Relative Psa0.27109
Polar Surface Area53.09
Druglikeness1.2325
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.64286
Molecular Flexibility0.28881
Molecular Complexity0.6715
Fragments1
Non H Atoms14
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds2
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms9
Sp3 Atoms1
Aromatic Nitrogens1
Acidic Oxygens1
SmilesOC(/C=C/c1c[nH]c2c1cccc2)=O
InChIKeyInChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)
InChIPLVPPLCLBIEYEA-UHFFFAOYSA-N

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