Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02756"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,2,5,6-Tetrahydro-4h-Pyrrolo(3,2,1-Ij)Quinolin-4-One"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.
Hydroquinolones
Organic Compounds
Heterocyclic Compounds
Quinolines and Derivatives
Quinolones and Derivatives
Hydroquinolines
Indoles and Derivatives
Benzene and Substituted Derivatives
Tertiary Carboxylic Acid Amides
Tertiary Amines
Carboxylic Acids
Polyamines
indole or derivative
benzene
tertiary carboxylic acid amide
tertiary amine
carboxamide group
carboxylic acid derivative
polyamine
carboxylic acid
amine
organonitrogen compound
logP
1.1
ALOGPS
logS
-1.2
ALOGPS
Water Solubility
1.13e+01 g/l
ALOGPS
logP
1.42
ChemAxon
IUPAC Name
1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one
ChemAxon
Traditional IUPAC Name
pyroquilon
ChemAxon
Molecular Weight
173.2111
ChemAxon
Monoisotopic Weight
173.084063979
ChemAxon
SMILES
O=C1CCC2=CC=CC3=C2N1CC3
ChemAxon
Molecular Formula
C11H11NO
ChemAxon
InChI
InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
ChemAxon
InChIKey
InChIKey=XRJLAOUDSILTFT-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
20.31
ChemAxon
Refractivity
50.61
ChemAxon
Polarizability
18.79
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-3.5
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
91665
PubChem Substance
46507815
ChemSpider
82768
PDB
PYQ
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object