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PH3 : Summary
Code
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PH3
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One-letter code
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X
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Molecule name
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N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE
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Systematic names
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Formula
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C7 H8 Cl N3 O
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Formal charge
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0
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Molecular weight
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185.611 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc1ccc(NC(=[N@H])NO)cc1 |
SMILES
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CACTVS |
3.341 |
ONC(=N)Nc1ccc(Cl)cc1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1NC(=N)NO)Cl |
Canonical SMILES
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CACTVS |
3.341 |
ONC(=N)Nc1ccc(Cl)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1NC(=N)NO)Cl |
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IUPAC InChI | InChI=1S/C7H8ClN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11) |
IUPAC InChI key | JYBXKTLYOMPMQY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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20 (12 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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1999-12-16
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Last modified at
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2011-06-04
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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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