Tìm theo
N-2-Thiophen-2-Yl-Acetamide Boronic Acid
Thuốc Gốc
Small Molecule
CTHH: C7H10BNO3S
PTK: 199.035
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
199.035
Monoisotopic mass
199.047444347
InChI
InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)
InChI Key
InChIKey=VXAPSUDMBNWYNC-UHFFFAOYSA-N
IUPAC Name
{[2-(thiophen-2-yl)acetamido]methyl}boronic acid
Traditional IUPAC Name
[2-(thiophen-2-yl)acetamido]methylboronic acid
SMILES
OB(O)CNC(=O)CC1=CC=CS1
Độ hòa tan
2.21e-01 g/l
logP
1.06
logS
-3
pKa (strongest acidic)
15.07
pKa (Strongest Basic)
-2.9
PSA
69.56 Å2
Refractivity
44.83 m3·mol-1
Polarizability
19.72 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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