Molecule

ID:48169

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂Cl₂N₂
Molecular Mass
277.23318
Exact Mass
276.11600407
Charge
0
InChI
InChI=1S/C13H20N2.2ClH/c1-15(11-13-7-8-14-9-13)10-12-5-3-2-4-6-12;;/h2-6,13-14H,7-11H2,1H3;2*1H
InChIKey
CIISAMSSCLNVSH-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccccc1)CC1CNCC1.Cl.Cl
Isomeric Smiles
N1CC(CN(Cc2ccccc2)C)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.168137
LogD (pH = 7.4)
-2.3231032
Log P
1.6159896
Molar Refractivity
64.8753
Polarizability
25.600325
Polar Surface Area
15.27
Rotatable Bonds
4
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