Molecule

ID:23975

General Information
Structure
Molecular Formula
C₁₄H₂₂Cl₂N₂O₂
Molecular Mass
321.24268
Exact Mass
320.10583331
Charge
0
InChI
InChI=1S/C14H20N2O2.2ClH/c17-14(18)6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13;;/h1-5H,6-12H2,(H,17,18);2*1H
InChIKey
IREPQAIEIMWDQH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCN(CC1)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N1(Cc2ccccc2)CCN(CC1)CCC(=O)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
2.7104447
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2578057
LogD (pH = 7.4)
-1.2644423
Log P
-1.251717
Molar Refractivity
71.4348
Polarizability
27.89132
Polar Surface Area
43.78
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