Tìm theo
Biphenyl-2,3-Diol
Thuốc Gốc
Small Molecule
CAS: 1133-63-7
CTHH: C12H10O2
PTK: 186.2066
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H10O2
Phân tử khối
186.2066
Monoisotopic mass
186.068079564
InChI
InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H
InChI Key
InChIKey=YKOQAAJBYBTSBS-UHFFFAOYSA-N
IUPAC Name
3-phenylbenzene-1,2-diol
Traditional IUPAC Name
biphenyl-2,3-diol
SMILES
OC1=C(O)C(=CC=C1)C1=CC=CC=C1
Độ hòa tan
5.52e-01 g/l
logP
3.01
logS
-2.5
pKa (strongest acidic)
9.15
pKa (Strongest Basic)
-6.3
PSA
40.46 Å2
Refractivity
55.16 m3·mol-1
Polarizability
19.68 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
2
H Bond Donor Count
2
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/DB02923
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=254
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507022
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C02526
ChemSpider
http://www.chemspider.com/Chemical-Structure.249.html
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