Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03694"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"N-Phenylthiourea"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.
Benzene and Substituted Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Organic Thiocarbonic Acid Derivatives
Polyamines
thiocarbonic acid derivative
polyamine
amine
organonitrogen compound
logP
0.57
ALOGPS
logS
-2.2
ALOGPS
Water Solubility
9.04e-01 g/l
ALOGPS
logP
1.77
ChemAxon
IUPAC Name
phenylthiourea
ChemAxon
Traditional IUPAC Name
N-phenylthiourea
ChemAxon
Molecular Weight
152.217
ChemAxon
Monoisotopic Weight
152.040818956
ChemAxon
SMILES
NC(=S)NC1=CC=CC=C1
ChemAxon
Molecular Formula
C7H8N2S
ChemAxon
InChI
InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
ChemAxon
InChIKey
InChIKey=FULZLIGZKMKICU-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
38.05
ChemAxon
Refractivity
47.59
ChemAxon
Polarizability
16.05
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
0
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
9.62
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
676454
PubChem Substance
46506615
PDB
URS
"
|
| 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