Molecule

ID:17752

General Information
Structure
Molecular Formula
C₁₁H₂₄Cl₂N₂O
Molecular Mass
271.22706
Exact Mass
270.12656876
Charge
0
InChI
InChI=1S/C11H22N2O.2ClH/c1-4-12-5-2-11(1)3-6-13-7-9-14-10-8-13;;/h11-12H,1-10H2;2*1H
InChIKey
TYQNRCVLEZKOPV-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCN1CCOCC1.Cl.Cl
Isomeric Smiles
C1(CCN2CCOCC2)CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.1031637
LogD (pH = 7.4)
-2.9076767
Log P
0.4426429
Molar Refractivity
58.715
Polarizability
23.27968
Polar Surface Area
24.5
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