Tìm theo
2,6-dicarboxynaphthalene
Thuốc Gốc
Small Molecule
CAS: 1141-38-4
CTHH: C12H8O4
PTK: 216.1895
2,6-dicarboxynaphthalene is a solid. This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group. This drug targets the proteins hemoglobin subunit alpha and hemoglobin subunit beta.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H8O4
Phân tử khối
216.1895
Monoisotopic mass
216.042258744
InChI
InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
InChI Key
InChIKey=RXOHFPCZGPKIRD-UHFFFAOYSA-N
IUPAC Name
naphthalene-2,6-dicarboxylic acid
Traditional IUPAC Name
naphthalene-2,6-dicarboxylic acid
SMILES
OC(=O)C1=CC2=CC=C(C=C2C=C1)C(O)=O
Độ hòa tan
9.60e-02 g/l
logP
2.28
logS
-3.4
pKa (strongest acidic)
3.69
PSA
74.6 Å2
Refractivity
57.02 m3·mol-1
Polarizability
21.24 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08262
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14357
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99444733
ChemSpider
http://www.chemspider.com/Chemical-Structure.13718.html
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