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Namespace Prefixes
Prefix | IRI |
rdf | http://www.w3.org/1999/02/22-rdf-syntax-ns# |
n3 | http://linked.opendata.cz/ontology/drugbank/ |
n2 | http://linked.opendata.cz/resource/drugbank/property/ |
xsdh | http://www.w3.org/2001/XMLSchema# |
Statements
- Subject Item
- n2:271B5CA7-363D-11E5-9242-09173F13E4C5
- n3:propertySource
-
ChemAxon
YALKOWSKY,SH & DANNENFELSER,RM (1992)
ALOGPS
- n3:propertyValue
-
C23H27BrFNO2
1-(4-hexylphenyl)prop-2-en-1-one
InChI=1S/C17H15N3O9/c1-9(21)18-13(17(23)24)6-10-2-4-11(5-3-10)29-12-7-14(19(25)26)16(22)15(8-12)20(27)28/h2-5,7-8,13,22H,6H2,1H3,(H,18,21)(H,23,24)/t13-/m0/s1
7
71.99
5000 mg/L (at 20 °C)
-3.7
70.57
1
CO[C@@H]1C[C@@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C/C=C\[C@@H](OC)[C@H](OC(N)=O)\C(C)=C/[C@@H](C)[C@H]1O)C2=O
99.05
19.61
1.58e+00 g/l
3.66
-1
157.69