Tìm theo
Isatin
Các tên gọi khác (1) :
  • 1H-indole-2,3-dione
Thuốc Gốc
Small Molecule
CAS: 91-56-5
CTHH: C8H5NO2
PTK: 147.1308
Isatin is an indole derivative. The compound was first obtained by Erdman and Laurent in 1841 as a product from the oxidation of Indigo dye by nitric acid and chromic acids. The compound is found in many plants and Schiff bases of Isatin are investigated for their pharmaceutical properties. [Wikipedia]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H5NO2
Phân tử khối
147.1308
Monoisotopic mass
147.032028409
InChI
InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChI Key
InChIKey=JXDYKVIHCLTXOP-UHFFFAOYSA-N
IUPAC Name
2,3-dihydro-1H-indole-2,3-dione
Traditional IUPAC Name
isatin
SMILES
O=C1NC2=CC=CC=C2C1=O
Độ tan chảy
203 dec °C
Độ hòa tan
2.77e+00 g/l
logP
0.83
logS
-1.7
pKa (strongest acidic)
8.93
pKa (Strongest Basic)
-5.6
PSA
46.17 Å2
Refractivity
40.48 m3·mol-1
Polarizability
13.8 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02095
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7054
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507369
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C11129
ChemSpider
http://www.chemspider.com/Chemical-Structure.6787.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11022
Wikipedia
http://en.wikipedia.org/wiki/Isatin
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