Tìm theo
2-(4-Morpholinyl)-8-Phenyl-4h-1-Benzopyran-4-One
Thuốc Gốc
Small Molecule
CAS: 154447-36-6
CTHH: C19H17NO3
PTK: 307.3432
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H17NO3
Phân tử khối
307.3432
Monoisotopic mass
307.120843415
InChI
InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChI Key
InChIKey=CZQHHVNHHHRRDU-UHFFFAOYSA-N
IUPAC Name
2-(morpholin-4-yl)-8-phenyl-4H-chromen-4-one
Traditional IUPAC Name
2-(morpholin-4-yl)-8-phenylchromen-4-one
SMILES
O=C1C=C(OC2=C1C=CC=C2C1=CC=CC=C1)N1CCOCC1
Độ hòa tan
1.27e-01 g/l
logP
3.41
logS
-3.4
pKa (strongest acidic)
15.95
pKa (Strongest Basic)
3.47
PSA
38.77 Å2
Refractivity
98.5 m3·mol-1
Polarizability
32.75 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02656
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3973
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504762
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C15195
ChemSpider
http://www.chemspider.com/Chemical-Structure.3835.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=12915
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