F9Y
1H-indole-6-carbonitrile
Created: | 2018-03-22 |
Last modified: | 2018-08-22 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 17 |
Chiral Atom Count | 0 |
Bond Count | 18 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 1H-indole-6-carbonitrile |
Systematic Name (OpenEye OEToolkits) | 1~{H}-indole-6-carbonitrile |
Formula | C9 H6 N2 |
Molecular Weight | 142.157 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(c2ccc1ccnc1c2)#N |
SMILES | CACTVS | 3.385 | N#Cc1ccc2cc[nH]c2c1 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1cc[nH]2)C#N |
Canonical SMILES | CACTVS | 3.385 | N#Cc1ccc2cc[nH]c2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1cc[nH]2)C#N |
InChI | InChI | 1.03 | InChI=1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H |
InChIKey | InChI | 1.03 | SZSZDBFJCQKTRG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 85146 |