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H4T : Summary
Code ![](/pdbe/static/images/help.png)
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H4T
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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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6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone
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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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C14 H15 Cl2 N O2
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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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300.18 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl |
Canonical SMILES
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CACTVS |
3.385 |
Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H15Cl2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DGXBFJCZWBOKKO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (19 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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2018-11-16
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Last modified at ![](/pdbe/static/images/help.png)
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2019-07-05
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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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