SYE
(quinolin-2-ylmethyl)phosphonic acid
Created: | 2010-09-14 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | (quinolin-2-ylmethyl)phosphonic acid |
Systematic Name (OpenEye OEToolkits) | quinolin-2-ylmethylphosphonic acid |
Formula | C10 H10 N O3 P |
Molecular Weight | 223.165 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)Cc1nc2ccccc2cc1 |
SMILES | CACTVS | 3.370 | O[P](O)(=O)Cc1ccc2ccccc2n1 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)ccc(n2)CP(=O)(O)O |
Canonical SMILES | CACTVS | 3.370 | O[P](O)(=O)Cc1ccc2ccccc2n1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)ccc(n2)CP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C10H10NO3P/c12-15(13,14)7-9-6-5-8-3-1-2-4-10(8)11-9/h1-6H,7H2,(H2,12,13,14) |
InChIKey | InChI | 1.03 | SZCYKKWPKXABPU-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 50897582 |
ChEMBL | CHEMBL1615247 |