Tìm theo
1-(4-thiophen-2-ylphenyl)methanamine
Thuốc Gốc
Small Molecule
CTHH: C11H11NS
PTK: 189.277
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H11NS
Phân tử khối
189.277
Monoisotopic mass
189.061220047
InChI
InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2
InChI Key
InChIKey=YKNLMMDEWQZCLJ-UHFFFAOYSA-N
IUPAC Name
[4-(thiophen-2-yl)phenyl]methanamine
Traditional IUPAC Name
[4-(thiophen-2-yl)phenyl]methanamine
SMILES
NCC1=CC=C(C=C1)C1=CC=CS1
Độ hòa tan
8.82e-02 g/l
logP
2.52
logS
-3.3
pKa (Strongest Basic)
9.44
PSA
26.02 Å2
Refractivity
56.56 m3·mol-1
Polarizability
21.27 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
1
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB07259
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=2776332
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443730
ChemSpider
http://www.chemspider.com/Chemical-Structure.2056650.html
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