Molecule

ID:48922

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅ClN₂O
Molecular Mass
260.8034
Exact Mass
260.16554111
Charge
0
InChI
InChI=1S/C13H24N2O.ClH/c1-2-15(11-7-4-3-5-8-11)13(16)12-9-6-10-14-12;/h11-12,14H,2-10H2,1H3;1H
InChIKey
OGMGPIXGRKGZRS-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C1CCCN1)C1CCCCC1.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)CC)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5075918
LogD (pH = 7.4)
-0.6585689
Log P
1.6993465
Molar Refractivity
65.4427
Polarizability
25.950315
Polar Surface Area
32.34
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