2-(2-Hydroxy-5-Methoxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine
Thuốc Gốc
Small Molecule
CTHH: C15H15N4O2
PTK: 283.3052
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
283.3052
Monoisotopic mass
283.119500744
InChI
InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1
InChI Key
InChIKey=ZFCKHJJALHETHG-UHFFFAOYSA-O
IUPAC Name
{amino[2-(2-hydroxy-5-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
Traditional IUPAC Name
{amino[2-(2-hydroxy-5-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
SMILES
COC1=CC=C(O)C(=C1)C1=NC2=C(N1)C=CC(=C2)C(N)=[NH2+]
Độ hòa tan
8.02e-02 g/l
logP
1.29
logS
-3.6
pKa (strongest acidic)
9.08
pKa (Strongest Basic)
10.59
PSA
109.75 Å2
Refractivity
100.99 m3·mol-1
Polarizability
30.73 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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