Molecule

ID:15818

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅Cl₃N₂
Molecular Mass
339.7314
Exact Mass
338.10833185
Charge
0
InChI
InChI=1S/C15H23ClN2.2ClH/c1-17-12-14-7-10-18(11-8-14)9-6-13-2-4-15(16)5-3-13;;/h2-5,14,17H,6-12H2,1H3;2*1H
InChIKey
ZMQDPMLCTMOYLG-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(CC1)CCc1ccc(cc1)Cl.Cl.Cl
Isomeric Smiles
C1(CCN(CC1)CCc1ccc(cc1)Cl)CNC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6725667
LogD (pH = 7.4)
-2.0045967
Log P
2.9117074
Molar Refractivity
79.1349
Polarizability
31.018587
Polar Surface Area
15.27
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