Molecule

ID:70961

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO₂
Molecular Mass
181.66044
Exact Mass
181.08695644
Charge
0
InChI
InChI=1S/C7H15NO2.ClH/c1-10-7(9)5-3-2-4-6-8;/h2-6,8H2,1H3;1H
InChIKey
YSLDOTFAFZJPOC-UHFFFAOYSA-N
Canonic Smiles
NCCCCCC(=O)OC.Cl
Isomeric Smiles
C(=O)(CCCCCN)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6107583
LogD (pH = 7.4)
-2.190978
Log P
0.41322976
Molar Refractivity
39.4289
Polarizability
15.9186325
Polar Surface Area
52.32
Rotatable Bonds
6
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