Tìm theo
4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL
Thuốc Gốc
Small Molecule
CTHH: C14H10Cl4O4S2
PTK: 448.169
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H10Cl4O4S2
Phân tử khối
448.169
Monoisotopic mass
445.877461016
InChI
InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3
InChI Key
InChIKey=RDBKPLOYRMCFIY-UHFFFAOYSA-N
IUPAC Name
1,4-dichloro-2-(2,5-dichloro-4-methanesulfonylphenyl)-5-methanesulfonylbenzene
Traditional IUPAC Name
1,4-dichloro-2-(2,5-dichloro-4-methanesulfonylphenyl)-5-methanesulfonylbenzene
SMILES
CS(=O)(=O)C1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C=C(C(Cl)=C1)S(C)(=O)=O
Độ hòa tan
4.66e-04 g/l
logP
3.72
logS
-6
pKa (strongest acidic)
19.3
PSA
68.28 Å2
Refractivity
98.42 m3·mol-1
Polarizability
39.85 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08373
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=115069
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99444844
ChemSpider
http://www.chemspider.com/Chemical-Structure.102978.html
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