Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03322"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdfs:label |
"1-(Isopropylamino)-3-(1-Naphthyloxy)-2-Propanol"
|
| ns1:description |
"
experimental
This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Naphthalenes
Organic Compounds
Benzenoids
Acenes and Derivatives
Naphthalenes
Phenol Ethers
Alkyl Aryl Ethers
Secondary Alcohols
1,2-Aminoalcohols
Polyamines
Dialkylamines
phenol ether
alkyl aryl ether
benzene
1,2-aminoalcohol
secondary alcohol
secondary aliphatic amine
secondary amine
ether
polyamine
amine
alcohol
organonitrogen compound
logP
3.03
ALOGPS
logS
-3.5
ALOGPS
Water Solubility
7.94e-02 g/l
ALOGPS
logP
2.58
ChemAxon
IUPAC Name
[(2R)-2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine
ChemAxon
Traditional IUPAC Name
propranolol
ChemAxon
Molecular Weight
259.3434
ChemAxon
Monoisotopic Weight
259.157228921
ChemAxon
SMILES
CC(C)NC[C@@H](O)COC1=CC=CC2=C1C=CC=C2
ChemAxon
Molecular Formula
C16H21NO2
ChemAxon
InChI
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
ChemAxon
InChIKey
InChIKey=AQHHHDLHHXJYJD-CQSZACIVSA-N
ChemAxon
Polar Surface Area (PSA)
41.49
ChemAxon
Refractivity
76.83
ChemAxon
Polarizability
30.03
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
14.09
ChemAxon
pKa (strongest basic)
9.67
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
21138
PubChem Substance
46504537
PDB
SNP
"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object