Tìm theo
Bromo-Willardiine
Thuốc Gốc
Small Molecule
CTHH: C7H8BrN3O4
PTK: 278.06
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C7H8BrN3O4
Phân tử khối
278.06
Monoisotopic mass
276.969818406
InChI
InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
InChI Key
InChIKey=AEKIJKSVXKWGRJ-BYPYZUCNSA-N
IUPAC Name
(2S)-2-amino-3-(5-bromo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid
Traditional IUPAC Name
bromo-willardiine
SMILES
N[C@@H](CN1C=C(Br)C(=O)NC1=O)C(O)=O
Độ hòa tan
3.41e+00 g/l
logP
-3.2
logS
-1.9
pKa (strongest acidic)
1.01
pKa (Strongest Basic)
8.64
PSA
112.73 Å2
Refractivity
52.26 m3·mol-1
Polarizability
21 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
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