Molecule

ID:48207

General Information
Structure
MolImage
Molecular Formula
C₉H₂₂Cl₂N₂
Molecular Mass
229.19038
Exact Mass
228.11600407
Charge
0
InChI
InChI=1S/C9H20N2.2ClH/c1-3-11(4-2)8-9-6-5-7-10-9;;/h9-10H,3-8H2,1-2H3;2*1H
InChIKey
BOVWNLGUEZPNMJ-UHFFFAOYSA-N
Canonic Smiles
CCN(CC1CCCN1)CC.Cl.Cl
Isomeric Smiles
N1C(CN(CC)CC)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8175693
LogD (pH = 7.4)
-2.0788047
Log P
1.0049465
Molar Refractivity
49.4209
Polarizability
19.657892
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