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OPO : Summary
Code ![](/pdbe/static/images/help.png)
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OPO
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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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O-NITROPHENOL
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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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C6 H5 N O3
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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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139.109 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 |
O=[N+]([O-])c1ccccc1O |
SMILES
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CACTVS |
3.385 |
Oc1ccccc1[N+]([O-])=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(c(c1)[N+](=O)[O-])O |
Canonical SMILES
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CACTVS |
3.385 |
Oc1ccccc1[N+]([O-])=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(c(c1)[N+](=O)[O-])O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IQUPABOKLQSFBK-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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15 (10 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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2014-09-19
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Last modified at ![](/pdbe/static/images/help.png)
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2015-09-25
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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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