Tìm theo
O-Succinylbenzoate
Thuốc Gốc
Small Molecule
CAS: 27415-09-4
CTHH: C11H10O5
PTK: 222.1941
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H10O5
Phân tử khối
222.1941
Monoisotopic mass
222.05282343
InChI
InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChI Key
InChIKey=YIVWQNVQRXFZJB-UHFFFAOYSA-N
IUPAC Name
2-(3-carboxypropanoyl)benzoic acid
Traditional IUPAC Name
O-succinylbenzoate
SMILES
OC(=O)CCC(=O)C1=C(C=CC=C1)C(O)=O
Độ hòa tan
5.57e-01 g/l
logP
1.01
logS
-2.6
pKa (strongest acidic)
3.42
pKa (Strongest Basic)
-7.6
PSA
91.67 Å2
Refractivity
54.61 m3·mol-1
Polarizability
21.23 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
-2
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02251
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=955
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504874
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C02730
ChemSpider
http://www.chemspider.com/Chemical-Structure.930.html
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