RG0
1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
Created: | 2022-11-30 |
Last modified: | 2022-12-14 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone |
Systematic Name (OpenEye OEToolkits) | 1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone |
Formula | C11 H9 Cl F3 N O |
Molecular Weight | 263.643 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl |
Canonical SMILES | CACTVS | 3.385 | CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F |
Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl |
InChI | InChI | 1.06 | InChI=1S/C11H9ClF3NO/c1-6(17)16-5-4-7-9(16)3-2-8(12)10(7)11(13,14)15/h2-3H,4-5H2,1H3 |
InChIKey | InChI | 1.06 | OCTQANMBVHBRLQ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 166001318 |