Molecule

ID:47098

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₂
Molecular Mass
257.7564
Exact Mass
257.11825657
Charge
0
InChI
InChI=1S/C13H19NO2.ClH/c1-2-5-12(6-3-1)15-9-10-16-13-7-4-8-14-11-13;/h1-3,5-6,13-14H,4,7-11H2;1H
InChIKey
FQZBDSKIYLVMEF-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)OCCOc1ccccc1.Cl
Isomeric Smiles
N1CC(OCCOc2ccccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3206741
LogD (pH = 7.4)
-0.3323668
Log P
1.8697602
Molar Refractivity
63.5003
Polarizability
25.387354
Polar Surface Area
30.49
Rotatable Bonds
5
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