Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04093"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Undecanal"
|
| rdf:type | |
| drugbank:description |
"
experimental
Dieter Reinehr, Josef Pfeifer, "Substituted 11-amino-undeca-4,8-dienal and 11-amino-undecanal derivatives and processes for their preparation." U.S. Patent US4277621, issued February, 1963.
This compound belongs to the polyamines. These are compounds containing more than one amine group.
Polyamines
Organic Compounds
Organonitrogen Compounds
Amines
Polyamines
Enolates
Alpha-hydrogen Aldehydes
aldehyde
logP
4.98
ALOGPS
logS
-4.9
ALOGPS
Water Solubility
2.01e-03 g/l
ALOGPS
logP
3.88
ChemAxon
IUPAC Name
undecanal
ChemAxon
Traditional IUPAC Name
undecanal
ChemAxon
Molecular Weight
170.2918
ChemAxon
Monoisotopic Weight
170.167065326
ChemAxon
SMILES
CCCCCCCCCCC=O
ChemAxon
Molecular Formula
C11H22O
ChemAxon
InChI
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
ChemAxon
InChIKey
InChIKey=KMPQYAYAQWNLME-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
17.07
ChemAxon
Refractivity
53.15
ChemAxon
Polarizability
22.77
ChemAxon
Rotatable Bond Count
9
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest acidic)
15.56
ChemAxon
pKa (strongest basic)
-6.9
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
8186
PubChem Substance
46505996
PDB
UNA
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object