Tìm theo
NU1025
Thuốc Gốc
Small Molecule
CAS: 90417-38-2
CTHH: C9H8N2O2
PTK: 176.172
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H8N2O2
Phân tử khối
176.172
Monoisotopic mass
176.05857751
InChI
InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)
InChI Key
InChIKey=YJDAOHJWLUNFLX-UHFFFAOYSA-N
IUPAC Name
8-hydroxy-2-methyl-3,4-dihydroquinazolin-4-one
Traditional IUPAC Name
8-hydroxy-2-methyl-3H-quinazolin-4-one
SMILES
CC1=NC2=C(C=CC=C2O)C(=O)N1
Độ hòa tan
1.04e+00 g/l
logP
0.47
logS
-2.2
pKa (strongest acidic)
7.65
pKa (Strongest Basic)
1.72
PSA
61.69 Å2
Refractivity
49.37 m3·mol-1
Polarizability
17.33 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02690
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=63306
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508590
ChemSpider
http://www.chemspider.com/Chemical-Structure.56978.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50068774
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