Tìm theo
2-Isobutyl-3-Methoxypyrazine
Thuốc Gốc
Small Molecule
CTHH: C9H14N2O
PTK: 166.2203
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
166.2203
Monoisotopic mass
166.11061308
InChI
InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
InChI Key
InChIKey=UXFSPRAGHGMRSQ-UHFFFAOYSA-N
IUPAC Name
2-methoxy-3-(2-methylpropyl)pyrazine
Traditional IUPAC Name
2-methoxy-3-(2-methylpropyl)pyrazine
SMILES
COC1=NC=CN=C1CC(C)C
Độ hòa tan
2.09e+01 g/l
logP
1.54
logS
-0.9
pKa (Strongest Basic)
0.98
PSA
35.01 Å2
Refractivity
46.89 m3·mol-1
Polarizability
18.38 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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