Molecule

ID:48946

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁ClN₂O₂
Molecular Mass
248.74964
Exact Mass
248.1291556
Charge
0
InChI
InChI=1S/C11H20N2O2.ClH/c14-9-4-7-13(8-5-9)11(15)10-3-1-2-6-12-10;/h9-10,12,14H,1-8H2;1H
InChIKey
VJMVPVAMIHUQIR-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)C(=O)C1CCCCN1.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)O)C1NCCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.177587
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.7041502
LogD (pH = 7.4)
-2.19298
Log P
-0.69410366
Molar Refractivity
58.0052
Polarizability
22.897978
Polar Surface Area
52.57
Rotatable Bonds
1
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