Tìm theo
L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
Thuốc Gốc
Small Molecule
CTHH: C14H17BNO4
PTK: 274.1
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
274.1
Monoisotopic mass
274.125063503
InChI
InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m0/s1
InChI Key
InChIKey=XDFLCBUAVBYWFW-AWEZNQCLSA-N
IUPAC Name
[(1R)-1-acetamido-2-(naphthalen-1-yl)ethyl]trihydroxyboranuide
Traditional IUPAC Name
[(1R)-1-acetamido-2-(naphthalen-1-yl)ethyl]trihydroxyboranuide
SMILES
[H][C@@](CC1=C2C=CC=CC2=CC=C1)(NC(C)=O)[B-](O)(O)O
Độ hòa tan
4.46e-02 g/l
logP
0.23
logS
-3.8
pKa (strongest acidic)
12.74
pKa (Strongest Basic)
-0.46
PSA
89.79 Å2
Refractivity
71.43 m3·mol-1
Polarizability
28.24 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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