Molecule

ID:55247

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂N₃O₃
Molecular Mass
350.24084
Exact Mass
349.09599691
Charge
0
InChI
InChI=1S/C14H19N3O3.2ClH/c1-20-14(19)11-2-4-12(5-3-11)16-13(18)10-17-8-6-15-7-9-17;;/h2-5,15H,6-10H2,1H3,(H,16,18);2*1H
InChIKey
LVROPQSCQXPFCE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)NC(=O)CN1CCNCC1.Cl.Cl
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)OC)cc1)CN1CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
12.815751
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.4497712
LogD (pH = 7.4)
-0.94892955
Log P
0.5700033
Molar Refractivity
77.1307
Polarizability
29.328575
Polar Surface Area
70.67
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation