Tìm theo
5-Amidino-Benzimidazole
Thuốc Gốc
Small Molecule
CTHH: C8H9N4
PTK: 161.1839
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
161.1839
Monoisotopic mass
161.082721308
InChI
InChI=1S/C8H8N4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H3,9,10)(H,11,12)/p+1
InChI Key
InChIKey=UHGFPMUGEQINGV-UHFFFAOYSA-O
IUPAC Name
[amino(1H-1,3-benzodiazol-6-yl)methylidene]azanium
Traditional IUPAC Name
[amino(3H-1,3-benzodiazol-5-yl)methylidene]azanium
SMILES
NC(=[NH2+])C1=CC2=C(C=C1)N=CN2
Độ hòa tan
1.86e+00 g/l
logP
-0.19
logS
-2
pKa (strongest acidic)
11.77
pKa (Strongest Basic)
10.92
PSA
80.29 Å2
Refractivity
57.44 m3·mol-1
Polarizability
16.75 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
2
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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