Tìm theo
4-Methylidene-5-One
Thuốc Gốc
Small Molecule
CTHH: C8H13N3O3
PTK: 199.2071
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H13N3O3
Phân tử khối
199.2071
Monoisotopic mass
199.095691297
InChI
InChI=1S/C8H13N3O3/c1-4(9)7-10-5(2)8(14)11(7)3-6(12)13/h4,14H,3,9H2,1-2H3,(H,12,13)/t4-/m0/s1
InChI Key
InChIKey=GYCBVEGTLQBIBF-BYPYZUCNSA-N
IUPAC Name
2-{2-[(1S)-1-aminoethyl]-5-hydroxy-4-methyl-1H-imidazol-1-yl}acetic acid
Traditional IUPAC Name
4-methylidene-5-one
SMILES
C[C@H](N)C1=NC(C)=C(O)N1CC(O)=O
Độ hòa tan
1.04e+01 g/l
logP
-3
logS
-1.3
pKa (strongest acidic)
3.14
pKa (Strongest Basic)
8.09
PSA
101.37 Å2
Refractivity
48.11 m3·mol-1
Polarizability
19.91 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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