Molecule

ID:38217

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂Cl₂N₂O₂
Molecular Mass
285.21058
Exact Mass
284.10583331
Charge
0
InChI
InChI=1S/C11H20N2O2.2ClH/c14-11(13-5-7-15-8-6-13)9-10-1-3-12-4-2-10;;/h10,12H,1-9H2;2*1H
InChIKey
ZEBZDPPIGQYWEZ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOCC1)CC1CCNCC1.Cl.Cl
Isomeric Smiles
C(=O)(N1CCOCC1)CC1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7306557
LogD (pH = 7.4)
-3.0650713
Log P
-0.50925726
Molar Refractivity
58.3405
Polarizability
22.96912
Polar Surface Area
41.57
Rotatable Bonds
2
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