6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE
Thuốc Gốc
Small Molecule
CTHH: C12H10ClN3O2
PTK: 263.68
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
263.68
Monoisotopic mass
263.046154286
InChI
InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3
InChI Key
InChIKey=AYKGPCNWPACUQV-UHFFFAOYSA-N
IUPAC Name
6-chloro-9-hydroxy-1,3-dimethyl-1H,4H,9H-pyrazolo[3,4-b]quinolin-4-one
Traditional IUPAC Name
6-chloro-9-hydroxy-1,3-dimethylpyrazolo[3,4-b]quinolin-4-one
SMILES
CN1N=C(C)C2=C1N(O)C1=C(C=C(Cl)C=C1)C2=O
Độ hòa tan
1.48e+00 g/l
logP
0.75
logS
-2.2
pKa (strongest acidic)
13.37
pKa (Strongest Basic)
0.21
PSA
58.36 Å2
Refractivity
88.7 m3·mol-1
Polarizability
25.9 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
4
H Bond Donor Count
1
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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