Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 7 results

Search term: GQDCTRKQKKYCHJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10220916

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O3/c11-9-5-2-14-15(10(5)13-4-12-9)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)/t6-,7+,8+/m0/s1
C10H13N5O3251.2419141000
219332

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H13N5O3/c11-9-5-2-14-15(10(5)13-4-12-9)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)
C10H13N5O3251.24199600
21182782

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O3/c11-9-5-2-14-15(10(5)13-4-12-9)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)/t6-,7+,8-/m0/s1
C10H13N5O3251.24197600
2338361

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H13N5O3/c11-9-5-2-14-15(10(5)13-4-12-9)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)/t6-,7+,8?/m0/s1
C10H13N5O3251.241924300
21431867

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H13N5O3/c11-9-5-2-14-15(10(5)13-4-12-9)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)/t6?,7-,8-/m1/s1
C10H13N5O3251.24191100
30650227

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C10H13N5O3/c11-9-5-2-14-15(10(5)13-4-12-9)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)/t6-,7?,8?/m0/s1
C10H13N5O3251.24191100
128924665

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O3/c11-9-5-2-14-15(10(5)13-4-12-9)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)/t6-,7-,8-/m1/s1
C10H13N5O3251.24191100

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