Tìm theo
N,4-Dihydroxy-N-Oxo-3-(Sulfooxy)Benzenaminium
Thuốc Gốc
Small Molecule
CTHH: C6H5NO7S
PTK: 235.171
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
235.171
Monoisotopic mass
234.978672209
InChI
InChI=1S/C6H5NO7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13)
InChI Key
InChIKey=XMCCOOONGGUOLA-UHFFFAOYSA-N
IUPAC Name
(2-hydroxy-5-nitrophenyl)oxidanesulfonic acid
Traditional IUPAC Name
(2-hydroxy-5-nitrophenyl)oxidanesulfonic acid
SMILES
OC1=CC=C(C=C1OS(O)(=O)=O)[N+]([O-])=O
Độ hòa tan
1.14e+00 g/l
logP
1.48
logS
-2.3
pKa (strongest acidic)
-3
pKa (Strongest Basic)
-5.5
PSA
129.65 Å2
Refractivity
47.34 m3·mol-1
Polarizability
18.16 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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