4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
Thuốc Gốc
Small Molecule
CTHH: C14H9Br2ClN2O3
PTK: 448.494
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
448.494
Monoisotopic mass
445.866845165
InChI
InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+
InChI Key
InChIKey=ZDMUFSJTENTNDA-NGYBGAFCSA-N
IUPAC Name
4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
Traditional IUPAC Name
4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
SMILES
OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=C(Cl)C=C2)C(O)=C1Br
Độ hòa tan
1.02e-02 g/l
logP
4.5
logS
-4.6
pKa (strongest acidic)
6.44
pKa (Strongest Basic)
-0.26
PSA
81.92 Å2
Refractivity
92.25 m3·mol-1
Polarizability
35.74 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
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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