2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM
Thuốc Gốc
Small Molecule
CTHH: C16H17N2OS
PTK: 285.384
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H17N2OS
Phân tử khối
285.384
Monoisotopic mass
285.106158866
InChI
InChI=1S/C16H16N2OS/c1-17(2)12-6-4-11(5-7-12)16-18(3)14-9-8-13(19)10-15(14)20-16/h4-10H,1-3H3/p+1
InChI Key
InChIKey=NOVJJPLRUMZSDK-UHFFFAOYSA-O
IUPAC Name
2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium
Traditional IUPAC Name
2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium
SMILES
CN(C)C1=CC=C(C=C1)C1=[N+](C)C2=CC=C(O)C=C2S1
Độ hòa tan
2.40e-03 g/l
logP
-0.45
logS
-5.1
pKa (strongest acidic)
8.93
pKa (Strongest Basic)
3.37
PSA
27.35 Å2
Refractivity
94.11 m3·mol-1
Polarizability
32.33 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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