Tìm theo
L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
Thuốc Gốc
Small Molecule
CTHH: C10H14BClNO4
PTK: 258.486
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H14BClNO4
Phân tử khối
258.486
Monoisotopic mass
258.070441114
InChI
InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m0/s1
InChI Key
InChIKey=FPCXTDQHLFRWCJ-JTQLQIEISA-N
IUPAC Name
[(1R)-2-(4-chlorophenyl)-1-acetamidoethyl]trihydroxyboranuide
Traditional IUPAC Name
[(1R)-2-(4-chlorophenyl)-1-acetamidoethyl]trihydroxyboranuide
SMILES
[H][C@@](CC1=CC=C(Cl)C=C1)(NC(C)=O)[B-](O)(O)O
Độ hòa tan
2.15e-01 g/l
logP
-0.25
logS
-3.1
pKa (strongest acidic)
11.6
pKa (Strongest Basic)
-0.46
PSA
89.79 Å2
Refractivity
59.79 m3·mol-1
Polarizability
25.33 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08693
ChemSpider
http://www.chemspider.com/Chemical-Structure.395671.html
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