N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
Thuốc Gốc
Small Molecule
CTHH: C18H12Br2N2O3
PTK: 464.107
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
464.107
Monoisotopic mass
461.921467554
InChI
InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+
InChI Key
InChIKey=LVLHTGJPIBVDTM-ZVBGSRNCSA-N
IUPAC Name
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
Traditional IUPAC Name
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
SMILES
OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=C3C=CC=CC3=C2)C(O)=C1Br
Độ hòa tan
4.63e-03 g/l
logP
4.88
logS
-5
pKa (strongest acidic)
6.44
pKa (Strongest Basic)
0.33
PSA
81.92 Å2
Refractivity
103.89 m3·mol-1
Polarizability
39.33 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
3
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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