(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
Thuốc Gốc
Small Molecule
CTHH: C17H17NO4
PTK: 299.3212
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
299.3212
Monoisotopic mass
299.115758037
InChI
InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
InChI Key
InChIKey=VSHUQLRHTJOKTA-XBXARRHUSA-N
IUPAC Name
(2E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Traditional IUPAC Name
(2E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
SMILES
OC1=CC=C(CCNC(=O)\C=C\C2=CC=C(O)C(O)=C2)C=C1
Độ hòa tan
3.80e-02 g/l
logP
2.66
logS
-3.9
pKa (strongest acidic)
9.04
pKa (Strongest Basic)
1.21
PSA
89.79 Å2
Refractivity
85.09 m3·mol-1
Polarizability
31.99 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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