Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02099"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"S-azabisabolene"
|
| rdf:type | |
| 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
(4s)-7-azabisabolene
logP
0.38
ALOGPS
logS
-5
ALOGPS
Water Solubility
2.28e-03 g/l
ALOGPS
logP
3.52
ChemAxon
IUPAC Name
(R,1R)-N,4-dimethyl-N-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-aminium
ChemAxon
Traditional IUPAC Name
S-azabisabolene
ChemAxon
Molecular Weight
208.3629
ChemAxon
Monoisotopic Weight
208.206524837
ChemAxon
SMILES
C[N@H+](CCC=C(C)C)[C@@H]1CCC(C)=CC1
ChemAxon
Molecular Formula
C14H26N
ChemAxon
InChI
InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m0/s1
ChemAxon
InChIKey
InChIKey=GGPFTSMJRHEOJG-AWEZNQCLSA-O
ChemAxon
Polar Surface Area (PSA)
4.44
ChemAxon
Refractivity
81.29
ChemAxon
Polarizability
27.33
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
0
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
10.62
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5289326
PubChem Substance
46508851
ChemSpider
16744174
PDB
SAZ
"
|
| 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