SYE

(quinolin-2-ylmethyl)phosphonic acid

Created: 2010-09-14
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count26
Aromatic Bond Count11
2D diagram of SYE

Chemical Component Summary

Name(quinolin-2-ylmethyl)phosphonic acid
Systematic Name (OpenEye OEToolkits)quinolin-2-ylmethylphosphonic acid
FormulaC10 H10 N O3 P
Molecular Weight223.165
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)Cc1nc2ccccc2cc1
SMILESCACTVS3.370O[P](O)(=O)Cc1ccc2ccccc2n1
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)ccc(n2)CP(=O)(O)O
Canonical SMILESCACTVS3.370 O[P](O)(=O)Cc1ccc2ccccc2n1
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc2c(c1)ccc(n2)CP(=O)(O)O
InChIInChI1.03 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)
InChIKeyInChI1.03 SZCYKKWPKXABPU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 50897582
ChEMBL CHEMBL1615247