Tìm theo
[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid
Thuốc Gốc
Small Molecule
CTHH: C8H5N3O6S
PTK: 271.207
{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid is a solid. This compound belongs to the nitrofurans. These are compounds containing a furan ring which bears a nitro group. {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid targets the protein aldose reductase.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H5N3O6S
Phân tử khối
271.207
Monoisotopic mass
270.989905597
InChI
InChI=1S/C8H5N3O6S/c12-6(13)3-18-8-10-9-7(17-8)4-1-2-5(16-4)11(14)15/h1-2H,3H2,(H,12,13)
InChI Key
InChIKey=ITBNJCVIFHSKRL-UHFFFAOYSA-N
IUPAC Name
2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid
Traditional IUPAC Name
{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid
SMILES
OC(=O)CSC1=NN=C(O1)C1=CC=C(O1)[N+]([O-])=O
Độ hòa tan
1.71e-01 g/l
logP
0.55
logS
-3.2
pKa (strongest acidic)
3.11
pKa (Strongest Basic)
-3.1
PSA
135.18 Å2
Refractivity
69.52 m3·mol-1
Polarizability
22.99 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08098
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=2817424
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99444569
ChemSpider
http://www.chemspider.com/Chemical-Structure.2095728.html
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