3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-2-METHYL-PROPIONIC ACID
Thuốc Gốc
Small Molecule
CTHH: C14H19NO3
PTK: 249.3056
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
249.3056
Monoisotopic mass
249.136493479
InChI
InChI=1S/C14H19NO3/c1-4-15(5-2)12-7-6-11(13(16)9-12)8-10(3)14(17)18/h6-9,16H,4-5H2,1-3H3,(H,17,18)/b10-8+
InChI Key
InChIKey=JAEWDFYDSACHDN-CSKARUKUSA-N
IUPAC Name
(2E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-methylprop-2-enoic acid
Traditional IUPAC Name
(2E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-methylprop-2-enoic acid
SMILES
CCN(CC)C1=CC(O)=C(\C=C(/C)C(O)=O)C=C1
Độ hòa tan
7.52e-01 g/l
logP
2.01
logS
-2.5
pKa (strongest acidic)
3.82
pKa (Strongest Basic)
4.85
PSA
60.77 Å2
Refractivity
73.32 m3·mol-1
Polarizability
27.91 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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