Molecule

ID:70768

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClN₂
Molecular Mass
146.61794
Exact Mass
146.06107604
Charge
0
InChI
InChI=1S/C6H10N2.ClH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-4H2;1H
InChIKey
PKMPMUHWHIIFBJ-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CC1)C#N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2031791
LogD (pH = 7.4)
-1.9718177
Log P
-0.06181896
Molar Refractivity
32.0546
Polarizability
12.41968
Polar Surface Area
35.82
Rotatable Bonds
0
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