Tìm theo
Naphthalen-1-Yl-Acetic Acid
Thuốc Gốc
Small Molecule
CAS: 86-87-3
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/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
InChI Key
InChIKey=PRPINYUDVPFIRX-UHFFFAOYSA-N
IUPAC Name
2-(naphthalen-1-yl)acetic acid
Traditional IUPAC Name
stop-drop
SMILES
OC(=O)CC1=C2C=CC=CC2=CC=C1
Độ tan chảy
135 °C
Độ hòa tan
420 mg/L (at 20 °C)
logP
2.24
logS
-3.2
pKa (strongest acidic)
4.75
PSA
37.3 Å2
Refractivity
53.82 m3·mol-1
Polarizability
19.42 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
pKa
4.23 (at 25 °C)
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01750
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6862
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508218
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C13014
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D01558
ChemSpider
http://www.chemspider.com/Chemical-Structure.6601.html
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