Molecule

ID:19559

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO
Molecular Mass
239.74112
Exact Mass
239.10769188
Charge
0
InChI
InChI=1S/C13H18ClNO/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,15H2
InChIKey
OWJLCDIINZIUPG-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1OCC1CCCCC1)Cl
Isomeric Smiles
c1(OCC2CCCCC2)c(N)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6971133
LogD (pH = 7.4)
3.7048767
Log P
3.7049766
Molar Refractivity
67.7714
Polarizability
26.190245
Polar Surface Area
35.25
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