Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02891"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Tricyclazole"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).
Benzothiazoles
Organic Compounds
Heterocyclic Compounds
Benzothiazoles
Triazolothiazoles
Toluenes
Triazoles
Thiazoles
Polyamines
triazolothiazole
toluene
benzene
1,2,4-triazole
azole
thiazole
polyamine
organonitrogen compound
logP
-0.63
ALOGPS
logS
-2.5
ALOGPS
Water Solubility
6.63e-01 g/l
ALOGPS
logP
1.16
ChemAxon
IUPAC Name
12-methyl-7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-5-ium
ChemAxon
Traditional IUPAC Name
tricyclazole
ChemAxon
Molecular Weight
190.245
ChemAxon
Monoisotopic Weight
190.043892961
ChemAxon
SMILES
CC1=CC=CC2=C1N1C=N[NH+]=C1S2
ChemAxon
Molecular Formula
C9H8N3S
ChemAxon
InChI
InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3/p+1
ChemAxon
InChIKey
InChIKey=DQJCHOQLCLEDLL-UHFFFAOYSA-O
ChemAxon
Polar Surface Area (PSA)
31.44
ChemAxon
Refractivity
64.27
ChemAxon
Polarizability
19.29
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
0.84
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
449237
PubChem Substance
46504734
PDB
BEA
"
|
| 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