Reactive Red 1 Dye
Thuốc Gốc
Small Molecule
CTHH: C19H16N8O10S3
PTK: 612.573
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H16N8O10S3
Phân tử khối
612.573
Monoisotopic mass
612.015150842
InChI
InChI=1S/C19H16N8O10S3/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H5,20,21,22,23,24,25)/b27-26+
InChI Key
InChIKey=LOCFSBZWHQIILX-CYYJNZCTSA-N
IUPAC Name
5-[(diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(E)-2-(2-sulfophenyl)diazen-1-yl]naphthalene-2,7-disulfonic acid
Traditional IUPAC Name
reactive red 1 dye
SMILES
NC1=NC(NC2=CC(=CC3=C2C(O)=C(\N=N\C2=CC=CC=C2S(O)(=O)=O)C(=C3)S(O)(=O)=O)S(O)(=O)=O)=NC(N)=N1
Độ hòa tan
1.31e-01 g/l
logP
-5.4
logS
-3.7
pKa (strongest acidic)
-3.3
pKa (Strongest Basic)
7.32
PSA
310.8 Å2
Refractivity
144.86 m3·mol-1
Polarizability
56.15 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
18
H Bond Donor Count
7
Physiological Charge
-2
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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