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WQY : Summary
Code ![](/pdbe/static/images/help.png)
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WQY
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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1-(quinolin-3-yl)methanamine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C10 H10 N2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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158.2 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n2c1ccccc1cc(CN)c2 |
SMILES
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CACTVS |
3.385 |
NCc1cnc2ccccc2c1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)cc(cn2)CN |
Canonical SMILES
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CACTVS |
3.385 |
NCc1cnc2ccccc2c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)cc(cn2)CN |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VKKZSJQQRIGUIE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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22 (12 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2020-11-04
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Last modified at ![](/pdbe/static/images/help.png)
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2021-01-08
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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