Tìm theo
(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID
Thuốc Gốc
Small Molecule
CTHH: C12H10O4
PTK: 218.2054
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
218.2054
Monoisotopic mass
218.057908808
InChI
InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4+,11-8+
InChI Key
InChIKey=RDRDHXDYMGUCKE-VCABWLAWSA-N
IUPAC Name
(2E,4E)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Traditional IUPAC Name
(2E,4E)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
SMILES
OC(=O)C(\O)=C/C=C/C(=O)C1=CC=CC=C1
Độ hòa tan
3.59e-01 g/l
logP
1.72
logS
-2.8
pKa (strongest acidic)
3.48
pKa (Strongest Basic)
-6.1
PSA
74.6 Å2
Refractivity
60.71 m3·mol-1
Polarizability
21.7 Å3
Rotatable Bond Count
4
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
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