Molecule

ID:47038

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO₂
Molecular Mass
297.82026
Exact Mass
297.14955669
Charge
0
InChI
InChI=1S/C16H23NO2.ClH/c1-3-5-13-7-8-15(16(10-13)18-2)19-12-14-6-4-9-17-11-14;/h3,7-8,10,14,17H,1,4-6,9,11-12H2,2H3;1H
InChIKey
JQKQQHPHPKZIRT-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccc(c(c1)OC)OCC1CCCNC1.Cl
Isomeric Smiles
c1(c(OCC2CNCCC2)ccc(c1)CC=C)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3194975
LogD (pH = 7.4)
0.33809024
Log P
2.9023898
Molar Refractivity
78.1473
Polarizability
30.663805
Polar Surface Area
30.49
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