Molecule

ID:33093

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁Cl₂NO
Molecular Mass
172.05294
Exact Mass
171.02176934
Charge
0
InChI
InChI=1S/C5H10ClNO.ClH/c1-2-8-5(7)3-4-6;/h7H,2-4H2,1H3;1H
InChIKey
YPINVLPNTQCTHB-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=N)OCC.Cl
Isomeric Smiles
C(=N)(CCCl)OCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.2702331
LogD (pH = 7.4)
1.0078056
Log P
1.0333077
Molar Refractivity
44.3549
Polarizability
13.221215
Polar Surface Area
33.08
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