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NRH : Summary
Code
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NRH
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One-letter code
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X
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Molecule name
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Norharmane
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Systematic names
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Formula
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C11 H8 N2
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Formal charge
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0
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Molecular weight
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168.195 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n3ccc2c1c(cccc1)nc2c3 |
SMILES
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CACTVS |
3.370 |
[nH]1c2ccccc2c3ccncc13 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc2c(c1)c3ccncc3[nH]2 |
Canonical SMILES
|
CACTVS |
3.370 |
[nH]1c2ccccc2c3ccncc13 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc2c(c1)c3ccncc3[nH]2 |
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IUPAC InChI | InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H |
IUPAC InChI key | AIFRHYZBTHREPW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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21 (13 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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2013-04-25
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Last modified at
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2020-06-17
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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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