N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE
Thuốc Gốc
Small Molecule
CTHH: C13H9Br2N3O3
PTK: 415.037
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
415.037
Monoisotopic mass
412.901066463
InChI
InChI=1S/C13H9Br2N3O3/c14-9-4-8(11(19)10(15)12(9)20)6-17-18-13(21)7-2-1-3-16-5-7/h1-6,19-20H,(H,18,21)/b17-6+
InChI Key
InChIKey=PYVJEAZDEZTGIS-UBKPWBPPSA-N
IUPAC Name
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]pyridine-3-carbohydrazide
Traditional IUPAC Name
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]pyridine-3-carbohydrazide
SMILES
OC1=C(Br)C=C(\C=N\NC(=O)C2=CN=CC=C2)C(O)=C1Br
Độ hòa tan
7.70e-02 g/l
logP
2.68
logS
-3.7
pKa (strongest acidic)
6.44
pKa (Strongest Basic)
3.51
PSA
94.81 Å2
Refractivity
85.29 m3·mol-1
Polarizability
32.61 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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