IDM
INDOLINE
Created: | 1999-07-08 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 18 |
Chiral Atom Count | 0 |
Bond Count | 19 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | INDOLINE |
Systematic Name (OpenEye OEToolkits) | 2,3-dihydro-1H-indole |
Formula | C8 H9 N |
Molecular Weight | 119.164 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | c1cccc2c1CCN2 |
SMILES | CACTVS | 3.341 | C1Cc2ccccc2N1 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)CCN2 |
Canonical SMILES | CACTVS | 3.341 | C1Cc2ccccc2N1 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)CCN2 |
InChI | InChI | 1.03 | InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2 |
InChIKey | InChI | 1.03 | LPAGFVYQRIESJQ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 10328 |
ChEMBL | CHEMBL388803 |
ChEBI | CHEBI:43295 |