Tìm theo
N-(pyridin-3-ylmethyl)aniline
Thuốc Gốc
Small Molecule
CTHH: C12H12N2
PTK: 184.2371
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H12N2
Phân tử khối
184.2371
Monoisotopic mass
184.100048394
InChI
InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2
InChI Key
InChIKey=BJXLHKJBRORJJJ-UHFFFAOYSA-N
IUPAC Name
N-(pyridin-3-ylmethyl)aniline
Traditional IUPAC Name
N-(pyridin-3-ylmethyl)aniline
SMILES
C(NC1=CC=CC=C1)C1=CC=CN=C1
Độ hòa tan
2.10e+00 g/l
logP
1.95
logS
-1.9
pKa (Strongest Basic)
4.86
PSA
24.92 Å2
Refractivity
58.71 m3·mol-1
Polarizability
20.73 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
1
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/DB06851
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=1082702
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443322
ChemSpider
http://www.chemspider.com/Chemical-Structure.923306.html
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