6,4'-Dihydroxy-3-Methyl-3',5'-Dibromoflavone
Thuốc Gốc
Small Molecule
CTHH: C16H10Br2O4
PTK: 426.056
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
426.056
Monoisotopic mass
423.894584102
InChI
InChI=1S/C16H10Br2O4/c1-7-14(20)10-6-9(19)2-3-13(10)22-16(7)8-4-11(17)15(21)12(18)5-8/h2-6,19,21H,1H3
InChI Key
InChIKey=GKDYOXMZSXVKPP-UHFFFAOYSA-N
IUPAC Name
2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-chromen-4-one
Traditional IUPAC Name
2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methylchromen-4-one
SMILES
CC1=C(OC2=CC=C(O)C=C2C1=O)C1=CC(Br)=C(O)C(Br)=C1
Độ hòa tan
1.96e-02 g/l
logP
4.29
logS
-4.3
pKa (strongest acidic)
6.01
pKa (Strongest Basic)
-5.4
PSA
66.76 Å2
Refractivity
90.54 m3·mol-1
Polarizability
34.72 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
4
H Bond Donor Count
2
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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