Tìm theo
Tropinone
Thuốc Gốc
Small Molecule
CAS: 532-24-1
CTHH: C8H13NO
PTK: 139.1949
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H13NO
Phân tử khối
139.1949
Monoisotopic mass
139.099714043
InChI
InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
InChI Key
InChIKey=QQXLDOJGLXJCSE-KNVOCYPGSA-N
IUPAC Name
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Traditional IUPAC Name
tropinone
SMILES
CN1[C@H]2CC[C@@H]1CC(=O)C2
Độ tan chảy
43 °C
Độ sôi
227 °C
Độ hòa tan
5.41e+02 g/l
logP
0.7
logS
0.59
pKa (strongest acidic)
18.02
pKa (Strongest Basic)
8.88
PSA
20.31 Å2
Refractivity
39.34 m3·mol-1
Polarizability
15.35 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01874
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=446337
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508221
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00783
ChemSpider
http://www.chemspider.com/Chemical-Structure.71370.html
Wikipedia
http://en.wikipedia.org/wiki/Tropinone
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