Molecule

ID:67621

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H11NO2.ClH/c1-2-9-5(8)6(7)3-4-6;/h2-4,7H2,1H3;1H
InChIKey
XFNUTZWASODOQK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(N)CC1.Cl
Isomeric Smiles
C1(CC1)(C(=O)OCC)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6667749
LogD (pH = 7.4)
-0.17456454
Log P
0.04893814
Molar Refractivity
32.7721
Polarizability
13.364334
Polar Surface Area
52.32
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