Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02650"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the polyamines. These are compounds containing more than one amine group.
Polyamines
Organic Compounds
Organonitrogen Compounds
Amines
Polyamines
Enolates
Organochlorides
Alkyl Chlorides
Aldehydes
organochloride
organohalogen
alkyl halide
alkyl chloride
aldehyde
logP
1.38
ALOGPS
logS
-1.7
ALOGPS
Water Solubility
3.15e+00 g/l
ALOGPS
logP
1.37
ChemAxon
IUPAC Name
2,2,2-trichloroacetaldehyde
ChemAxon
Traditional IUPAC Name
tri-chloro-acetaldehyde
ChemAxon
Molecular Weight
147.388
ChemAxon
Monoisotopic Weight
145.909297775
ChemAxon
SMILES
ClC(Cl)(Cl)C=O
ChemAxon
Molecular Formula
C2HCl3O
ChemAxon
InChI
InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
ChemAxon
InChIKey
InChIKey=HFFLGKNGCAIQMO-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
17.07
ChemAxon
Refractivity
27.23
ChemAxon
Polarizability
10.43
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-8
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
6407
PubChem Substance
46506955
ChemSpider
13863645
PDB
CLX
"
|
| rdf:type | |
| rdfs:label |
"Tri-Chloro-Acetaldehyde"
|
| 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