Tìm theo
12-Hydroxydodecanoic Acid
Thuốc Gốc
Small Molecule
CAS: 505-95-3
CTHH: C12H24O3
PTK: 216.3172
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H24O3
Phân tử khối
216.3172
Monoisotopic mass
216.172544634
InChI
InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
InChI Key
InChIKey=ZDHCZVWCTKTBRY-UHFFFAOYSA-N
IUPAC Name
12-hydroxydodecanoic acid
Traditional IUPAC Name
12-hydroxydodecanoic acid
SMILES
OCCCCCCCCCCCC(O)=O
Độ hòa tan
2.14e-01 g/l
logP
3.04
logS
-3
pKa (strongest acidic)
4.95
pKa (Strongest Basic)
-2
PSA
57.53 Å2
Refractivity
60.61 m3·mol-1
Polarizability
26.85 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03704
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=79034
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507831
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C08317
ChemSpider
http://www.chemspider.com/Chemical-Structure.71366.html
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