| 2D Structure | |
| CID | 798 |
| Target | AHR , AR , CA4 , CA6 , CYP1A2 , CYP2C19 , CYP2C9 , CYP3A4 , DRD3 , ESR1 , ESRRA , GLI3 , NR1I3 , PGR , PYGM , RARA , Rorc |
| IUPAC Name | 1H-indole |
| InChI | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
| InChI Key | SIKJAQJRHWYJAI-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C2C(=C1)C=CN2 |
| Isomeric SMILES | C1=CC=C2C(=C1)C=CN2 |
| Molecular Formula | C8H7N |
| Molecular Weight | 117.15 |
| synonyms | ['indole', '1H-Indole', '120-72-9', '2,3-Benzopyrrole', 'Indol', '1-Benzazole', 'Ketole', '1-Azaindene', '2,3-Benzopyrole', 'Indole (natural)', 'Caswell No. 498B', '1-Benzo(b)pyrrole', 'FEMA No. 2593', 'CCRIS 4421', 'HSDB 599', 'EPA Pesticide Chemical Code 025000', 'AI3-01540', 'NSC 1964', 'EINECS 204-420-7', 'UNII-8724FJW4M5', 'INDOLUM', 'DTXSID0020737', 'CHEBI:16881', '8724FJW4M5', 'NSC-1964', 'DTXCID40737', 'INDOLE (USP-RS)', 'INDOLE [USP-RS]', 'Indole, 3-Benzopyrrole, 1-benzazole', '204-420-7', 'Benzopyrrole', 'Indol [German]', '1H-Benzo[b]pyrrole', 'MFCD00005607', 'Benzo[b]pyrrole', 'CHEMBL15844', 'Indole 100 microg/mL in Acetonitrile', 'NCGC00167539-01', 'IND', 'benzazole', 'CAS-120-72-9', 'mono-indole', '1-H-indole', 'Indole, 7', 'Indole (8CI)', '1H-Indole (9CI)', 'INDOLUM [HPUS]', 'INDOLE [FHFI]', 'INDOLE [HSDB]', 'INDOLE [FCC]', 'INDOLE [MI]', 'Indole, >=99%', 'SCHEMBL698', 'bmse000097', 'Indole, analytical standard', 'Indole, >=99%, FG', 'WLN: T56 BMJ', 'BIDD:GT0304', 'INDOLE BENZO-PYRROLE', 'NSC1964', '185l', 'BCP27232', 'STR01201', 'Tox21_112536', 'Tox21_201677', 'Tox21_302937', 'BBL011739', 'BDBM50094702', 's6358', 'STL163380', 'AKOS000119629', 'Tox21_112536_1', 'AT36838', 'CG-0501', 'CS-W001132', 'DB04532', 'HY-W001132', 'Indole, puriss., >=98.5% (GC)', 'NCGC00167539-02', 'NCGC00167539-03', 'NCGC00256348-01', 'NCGC00259226-01', 'BP-10563', 'DS-011308', 'I0021', 'NS00010849', 'EN300-18285', 'C00463', 'SBI-0653862.0001', 'Q319541', 'SR-01000944736', 'SR-01000944736-1', 'Z57833933', 'F2190-0647', 'InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9', '82451-55-6'] |
From Pubchem