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ANC : Summary
Code
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ANC
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One-letter code
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X
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Molecule name
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ANTHRACEN-1-YLAMINE
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Systematic names
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Formula
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C14 H11 N
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Formal charge
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0
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Molecular weight
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193.244 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
c3cc2cc1cccc(N)c1cc2cc3 |
SMILES
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CACTVS |
3.341 |
Nc1cccc2cc3ccccc3cc12 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc2cc3c(cccc3N)cc2c1 |
Canonical SMILES
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CACTVS |
3.341 |
Nc1cccc2cc3ccccc3cc12 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2cc3c(cccc3N)cc2c1 |
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IUPAC InChI | InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2 |
IUPAC InChI key | YUENFNPLGJCNRB-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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26 (15 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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2000-12-08
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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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