Molecule

ID:45674

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁Cl₄NO₂
Molecular Mass
282.97974
Exact Mass
280.95438932
Charge
0
InChI
InChI=1S/C7H10Cl3NO2.ClH/c8-7(9,10)6(12)13-5-1-3-11-4-2-5;/h5,11H,1-4H2;1H
InChIKey
BZRAFFPOPQWEOU-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)(Cl)Cl)OC1CCNCC1.Cl
Isomeric Smiles
C(C(=O)OC1CCNCC1)(Cl)(Cl)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9011539
LogD (pH = 7.4)
-1.2114416
Log P
1.318695
Molar Refractivity
53.0838
Polarizability
20.95173
Polar Surface Area
38.33
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