KDV
quinoline-3-carbonitrile
Created: | 2018-11-27 |
Last modified: | 2019-03-27 |
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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 | 11 |
Chemical Component Summary | |
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Name | quinoline-3-carbonitrile |
Systematic Name (OpenEye OEToolkits) | quinoline-3-carbonitrile |
Formula | C10 H6 N2 |
Molecular Weight | 154.168 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(c2cnc1ccccc1c2)#N |
SMILES | CACTVS | 3.385 | N#Cc1cnc2ccccc2c1 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc(cn2)C#N |
Canonical SMILES | CACTVS | 3.385 | N#Cc1cnc2ccccc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc(cn2)C#N |
InChI | InChI | 1.03 | InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H |
InChIKey | InChI | 1.03 | QZZYYBQGTSGDPP-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 93177 |