Tìm theo
N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide
Thuốc Gốc
Small Molecule
CTHH: C15H13Br2NO3
PTK: 415.077
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H13Br2NO3
Phân tử khối
415.077
Monoisotopic mass
412.926218581
InChI
InChI=1S/C15H13Br2NO3/c1-7-3-9(4-8(2)13(7)19)15(21)18-10-5-11(16)14(20)12(17)6-10/h3-6,19-20H,1-2H3,(H,18,21)
InChI Key
InChIKey=HHFKUQZPNITQLU-UHFFFAOYSA-N
IUPAC Name
N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide
Traditional IUPAC Name
N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide
SMILES
CC1=CC(=CC(C)=C1O)C(=O)NC1=CC(Br)=C(O)C(Br)=C1
Độ hòa tan
8.82e-03 g/l
logP
5.02
logS
-4.7
pKa (strongest acidic)
6.72
pKa (Strongest Basic)
-3.2
PSA
69.56 Å2
Refractivity
90.88 m3·mol-1
Polarizability
34.89 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB07695
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=25210479
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99444166
ChemSpider
http://www.chemspider.com/Chemical-Structure.23333934.html
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