8-Hydroxy-4-(1-Hydroxyethyl)Quinoline-2-Carboxylic Acid
Thuốc Gốc
Small Molecule
CTHH: C12H13NO4
PTK: 235.2359
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
235.2359
Monoisotopic mass
235.084457909
InChI
InChI=1S/C12H13NO4/c1-6(14)8-5-9(12(16)17)13-11-7(8)3-2-4-10(11)15/h2-3,5-6,10,14-15H,4H2,1H3,(H,16,17)/t6-,10-/m0/s1
InChI Key
InChIKey=FCGZNXGKWUHBKD-WKEGUHRASA-N
IUPAC Name
(8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid
Traditional IUPAC Name
(8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid
SMILES
[H][C@@](C)(O)C1=CC(=NC2=C1C=CC[C@]2([H])O)C(O)=O
Độ hòa tan
2.99e+00 g/l
logP
-0.34
logS
-1.9
pKa (strongest acidic)
0.99
pKa (Strongest Basic)
4.63
PSA
90.65 Å2
Refractivity
61.69 m3·mol-1
Polarizability
23.66 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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