Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06915"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"naphthalene-1,2,4,5,7-pentol"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.
Naphthols and Derivatives
Organic Compounds
Benzenoids
Acenes and Derivatives
Naphthalenes
Hydroxyquinols and Derivatives
Catechols
Hydroquinones
Polyols
Enols
Polyamines
hydroxyquinol derivative
hydroquinone
1,2-diphenol
phenol derivative
benzene
polyol
enol
polyamine
logP
0.66
ALOGPS
logS
-2.1
ALOGPS
Water Solubility
1.65e+00 g/l
ALOGPS
logP
1.44
ChemAxon
IUPAC Name
naphthalene-1,2,4,5,7-pentol
ChemAxon
Traditional IUPAC Name
naphthalene-1,2,4,5,7-pentol
ChemAxon
Molecular Weight
208.1675
ChemAxon
Monoisotopic Weight
208.037173366
ChemAxon
SMILES
OC1=CC(O)=C2C(O)=CC(O)=C(O)C2=C1
ChemAxon
Molecular Formula
C10H8O5
ChemAxon
InChI
InChI=1S/C10H8O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-15H
ChemAxon
InChIKey
InChIKey=IISYZEMBGRNYTH-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
101.15
ChemAxon
Refractivity
52.41
ChemAxon
Polarizability
19.17
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
8.48
ChemAxon
pKa (strongest basic)
-5.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
448669
PubChem Substance
99443386
ChemSpider
395397
PDB
226
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object