WHC is still in active development. Read this to understand our approach.
depiction of SIKJAQJRHWYJAI-UHFFFAOYSA-N.svg
isomerdesign

Indole

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pubchem

Indole

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Data

InChI: InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H

Synonyms: 2,3-Benzopyrole,s6358,1-Benzazole,BCP27232,Tox21_112536,NCGC00256348-01,BBL011739,NSC 1964,Benzopyrrole,benzazole,Caswell No. 498B,Tox21_201677,DSSTox_GSID_20737,185l,Benzo[b]pyrrole,DSSTox_CID_737,SR-01000944736,MFCD00005607,STL163380,mono-indole,120-72-9,Indol [German],NCGC00167539-01,Indole, 98%,1-H-indole,HY-W001132,DTXSID0020737,HSDB 599,EN300-18285,1H-Indole, homopolymer,I-0800,Indol,BP-10563,FEMA No. 2593,1-Benzo(b)pyrrole,C00463,CCRIS 4421,FT-0627211,BIDD:GT0304,1H-Indole (9CI),Ketole,STR01201,Indole, analytical standard,indole,Indole,Indole (white flake),AMY3411,INDOLE [HSDB],1-Azaindene,INDOLE [MI],Indole (natural),NCGC00167539-02,bmse000097,SR-01000944736-1,NCGC00167539-03,AI3-01540,BDBM50094702,Indole, >=99%,DSSTox_RID_75761,NSC1964,SCHEMBL940818,EINECS 204-420-7,Indole, 7,Q319541,DB04532,CG-0501,Indole (8CI),CAS-120-72-9,I0021,DS-011308,2,3-Benzopyrrole,WLN: T56 BMJ,F2190-0647,Tox21_302937,UNII-8724FJW4M5,AKOS000119629,CHEMBL15844,Indole 100 microg/mL in Acetonitrile,82451-55-6,CHEBI:16881,Indole, puriss., >=98.5% (GC),INDOLUM,INDOLE [FHFI],CS-W001132,Z57833933,NSC-1964,1H-Indole,INDOLE BENZO-PYRROLE,INDOLE [FCC],NCGC00259226-01,1H-Benzo[b]pyrrole,Indole, >=99%, FG,SCHEMBL1921769,SCHEMBL9559244,EPA Pesticide Chemical Code 025000,Tox21_112536_1,INDOLUM [HPUS],ZINC14516984,I-0810,8724FJW4M5,INDOLE [USP-RS],IND,SCHEMBL698

Estimated data

Solubility: -0.968 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 61.3% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.