Molecule

ID:70696

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClN
Molecular Mass
133.61918
Exact Mass
133.06582707
Charge
0
InChI
InChI=1S/C6H11N.ClH/c1-2-6-4-3-5(1)7-6;/h5-7H,1-4H2;1H
InChIKey
JQHCKZLQJDVZPH-UHFFFAOYSA-N
Canonic Smiles
C1CC2NC1CC2.Cl
Isomeric Smiles
C12CCC(CC1)N2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.5019734
LogD (pH = 7.4)
-2.3801162
Log P
0.7382506
Molar Refractivity
29.1158
Polarizability
11.859141
Polar Surface Area
12.03
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