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8HQ : Summary
Code
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8HQ
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One-letter code
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X
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Molecule name
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8-hydroxyquinoline-4-carboxylic acid
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Systematic names
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Formula
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C10 H7 N O3
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Formal charge
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0
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Molecular weight
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189.167 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)c1c2cccc(O)c2ncc1 |
SMILES
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CACTVS |
3.385 |
OC(=O)c1ccnc2c(O)cccc12 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc2c(ccnc2c(c1)O)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC(=O)c1ccnc2c(O)cccc12 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc2c(ccnc2c(c1)O)C(=O)O |
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IUPAC InChI | InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14) |
IUPAC InChI key | KPTUKANGPPVLMD-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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21 (14 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2013-04-12
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Last modified at
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2014-09-05
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Status
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Released
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Obsoleted
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Not Assigned
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