Molecule

ID:55339

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO
Molecular Mass
149.61858
Exact Mass
149.06074169
Charge
0
InChI
InChI=1S/C6H11NO.ClH/c1-2-8-6(7)5-3-4-5;/h5,7H,2-4H2,1H3;1H
InChIKey
SGEMMELRMUVIHJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=N)C1CC1.Cl
Isomeric Smiles
C1CC1C(=N)OCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.49201384
LogD (pH = 7.4)
0.8864623
Log P
1.0387473
Molar Refractivity
42.3015
Polarizability
12.472337
Polar Surface Area
33.08
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