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D4Y : Summary
Code ![](/pdbe/static/images/help.png)
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D4Y
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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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(3S)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one
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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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C8 H6 F 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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167.137 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 |
c12C(C(=O)Nc1ccc(c2)F)O |
SMILES
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CACTVS |
3.385 |
O[CH]1C(=O)Nc2ccc(F)cc12 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc2c(cc1F)C(C(=O)N2)O |
Canonical SMILES
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CACTVS |
3.385 |
O[C@@H]1C(=O)Nc2ccc(F)cc12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc2c(cc1F)[C@@H](C(=O)N2)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XYDTZHMQTYEJQN-ZETCQYMHSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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18 (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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2017-10-18
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Last modified at ![](/pdbe/static/images/help.png)
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2018-09-07
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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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