Tìm theo
N-Methyl-N-Propargyl-3-(2,4-Dichlorophenoxy)Propylamine
Thuốc Gốc
Small Molecule
CTHH: C13H15Cl2NO
PTK: 272.17
An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H15Cl2NO
Phân tử khối
272.17
Monoisotopic mass
271.053069521
InChI
InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
InChI Key
InChIKey=BTFHLQRNAMSNLC-UHFFFAOYSA-N
IUPAC Name
[3-(2,4-dichlorophenoxy)propyl](methyl)(prop-2-yn-1-yl)amine
Traditional IUPAC Name
[3-(2,4-dichlorophenoxy)propyl](methyl)prop-2-yn-1-ylamine
SMILES
CN(CCCOC1=CC=C(Cl)C=C1Cl)CC#C
Độ hòa tan
1.40e-02 g/l
logP
3.33
logS
-4.3
pKa (Strongest Basic)
8.4
PSA
12.47 Å2
Refractivity
72.6 m3·mol-1
Polarizability
28.35 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04017
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4380
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507410
ChemSpider
http://www.chemspider.com/Chemical-Structure.4227.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15581
... loading
... loading