5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
Thuốc Gốc
Small Molecule
CTHH: C16H9FN4O
PTK: 292.2673
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
292.2673
Monoisotopic mass
292.076039135
InChI
InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)
InChI Key
InChIKey=JYAHFMKZJRVTDT-UHFFFAOYSA-N
IUPAC Name
5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
Traditional IUPAC Name
5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
SMILES
CC1=NNC2=C1C(OC1=CC(=CC(=C1)C#N)C#N)=C(F)C=C2
Độ hòa tan
1.58e-02 g/l
logP
2.78
logS
-4.3
pKa (strongest acidic)
14.33
pKa (Strongest Basic)
2.41
PSA
85.49 Å2
Refractivity
78.57 m3·mol-1
Polarizability
27.81 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
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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