4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
Thuốc Gốc
Small Molecule
CTHH: C17H16N2O3
PTK: 296.3205
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
296.3205
Monoisotopic mass
296.116092388
InChI
InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)
InChI Key
InChIKey=GSBFARPNIZUMHA-UHFFFAOYSA-N
IUPAC Name
4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
Traditional IUPAC Name
4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
SMILES
COC1=CC=C(C=C1)C1=C(C)NN=C1C1=C(O)C=C(O)C=C1
Độ hòa tan
1.27e-01 g/l
logP
3.39
logS
-3.4
pKa (strongest acidic)
8.42
pKa (Strongest Basic)
2.06
PSA
78.37 Å2
Refractivity
85.22 m3·mol-1
Polarizability
31.07 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
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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