Molecule

ID:34550

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂Cl₂N₂
Molecular Mass
277.23318
Exact Mass
276.11600407
Charge
0
InChI
InChI=1S/C13H20N2.2ClH/c1-2-5-13(6-3-1)7-11-15-10-4-8-14-9-12-15;;/h1-3,5-6,14H,4,7-12H2;2*1H
InChIKey
NKADVOOWXJCGMK-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)CCc1ccccc1.Cl.Cl
Isomeric Smiles
C1CN(CCCN1)CCc1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4120436
LogD (pH = 7.4)
-1.2642136
Log P
1.7273352
Molar Refractivity
64.9765
Polarizability
25.522182
Polar Surface Area
15.27
Rotatable Bonds
3
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