Tìm theo
(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene
Thuốc Gốc
Small Molecule
CTHH: C10H10O2
PTK: 162.1852
(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene is a solid. This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Known drug targets of (1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene include naphthalene 1,2-dioxygenase subunit beta and naphthalene 1,2-dioxygenase subunit alpha.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H10O2
Phân tử khối
162.1852
Monoisotopic mass
162.068079564
InChI
InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1
InChI Key
InChIKey=QPUHWUSUBHNZCG-VHSXEESVSA-N
IUPAC Name
(1R,2S)-1,2-dihydronaphthalene-1,2-diol
Traditional IUPAC Name
(1R,2S)-1,2-dihydronaphthalene-1,2-diol
SMILES
[H][C@]1(O)C=CC2=C(C=CC=C2)[C@@]1([H])O
Độ hòa tan
2.25e+01 g/l
logP
1
logS
-0.86
pKa (strongest acidic)
13.2
pKa (Strongest Basic)
-3.4
PSA
40.46 Å2
Refractivity
47.38 m3·mol-1
Polarizability
16.89 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08264
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=440294
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99444735
ChemSpider
http://www.chemspider.com/Chemical-Structure.389268.html
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