Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03025"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"1-Octen-3-Ol"
|
| drugbank:description |
"
experimental
This compound belongs to the fatty alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.
Fatty Alcohols
Organic Compounds
Lipids
Fatty Alcohols
Secondary Alcohols
Polyamines
secondary alcohol
polyamine
alcohol
logP
2.43
ALOGPS
logS
-2
ALOGPS
Water Solubility
1.31e+00 g/l
ALOGPS
logP
2.49
ChemAxon
IUPAC Name
(3S)-oct-1-en-3-ol
ChemAxon
Traditional IUPAC Name
1-octen-3-ol
ChemAxon
Molecular Weight
128.212
ChemAxon
Monoisotopic Weight
128.120115134
ChemAxon
SMILES
CCCCC[C@H](O)C=C
ChemAxon
Molecular Formula
C8H16O
ChemAxon
InChI
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1
ChemAxon
InChIKey
InChIKey=VSMOENVRRABVKN-MRVPVSSYSA-N
ChemAxon
Polar Surface Area (PSA)
20.23
ChemAxon
Refractivity
40.17
ChemAxon
Polarizability
16.25
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
17.49
ChemAxon
pKa (strongest basic)
-1.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
2724898
PubChem Substance
46505658
PDB
3OL
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object