3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE
Thuốc Gốc
Small Molecule
CTHH: C15H8Br2O6
PTK: 444.028
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
444.028
Monoisotopic mass
441.868763282
InChI
InChI=1S/C15H8Br2O6/c16-7-1-5(13(20)12(17)14(7)21)2-10-15(22)11-8(19)3-6(18)4-9(11)23-10/h1-4,18-21H/b10-2-
InChI Key
InChIKey=BRPKBUNFOZFULQ-SGAXSIHGSA-N
IUPAC Name
(2Z)-2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-2,3-dihydro-1-benzofuran-3-one
Traditional IUPAC Name
(2Z)-2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
SMILES
OC1=CC(O)=C2C(=O)\C(OC2=C1)=C\C1=C(O)C(Br)=C(O)C(Br)=C1
Độ hòa tan
5.27e-02 g/l
logP
4.18
logS
-3.9
pKa (strongest acidic)
6.18
pKa (Strongest Basic)
-5.2
PSA
107.22 Å2
Refractivity
90.22 m3·mol-1
Polarizability
34.9 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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