Tìm theo
IMAZAQUIN
Thuốc Gốc
Small Molecule
CTHH: C17H17N3O3
PTK: 311.3352
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
311.3352
Monoisotopic mass
311.126991425
InChI
InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1
InChI Key
InChIKey=CABMTIJINOIHOD-QGZVFWFLSA-N
IUPAC Name
2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid
Traditional IUPAC Name
imazaquin
SMILES
CC(C)[C@@]1(C)N=C(NC1=O)C1=NC2=CC=CC=C2C=C1C(O)=O
Độ hòa tan
6.04e-02 g/l
logP
2.73
logS
-3.7
pKa (strongest acidic)
3.67
pKa (Strongest Basic)
1.77
PSA
91.65 Å2
Refractivity
84.11 m3·mol-1
Polarizability
32.82 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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