Tìm theo
6-(4-Difluoromethoxy-3-Methoxy-Phenyl)-2h-Pyridazin-3-One
Thuốc Gốc
Small Molecule
CTHH: C12H10F2N2O3
PTK: 268.2162
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
268.2162
Monoisotopic mass
268.065948606
InChI
InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
InChI Key
InChIKey=HJMQDJPMQIHLPB-UHFFFAOYSA-N
IUPAC Name
6-[4-(difluoromethoxy)-3-methoxyphenyl]-2,3-dihydropyridazin-3-one
Traditional IUPAC Name
6-[4-(difluoromethoxy)-3-methoxyphenyl]-2H-pyridazin-3-one
SMILES
COC1=C(OC(F)F)C=CC(=C1)C1=NNC(=O)C=C1
Độ hòa tan
9.93e-02 g/l
logP
1.97
logS
-3.4
pKa (strongest acidic)
10.34
pKa (Strongest Basic)
-1.6
PSA
59.92 Å2
Refractivity
63.64 m3·mol-1
Polarizability
23.95 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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