Molecule

ID:55016

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c15-10-11-16-14-9-5-4-8-13(14)12-6-2-1-3-7-12;/h1-9H,10-11,15H2;1H
InChIKey
WGRNJNJGVUCSPC-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccccc1c1ccccc1.Cl
Isomeric Smiles
c1(c(OCCN)cccc1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.29577953
LogD (pH = 7.4)
0.80987024
Log P
2.665816
Molar Refractivity
65.6072
Polarizability
27.293116
Polar Surface Area
35.25
Rotatable Bonds
4
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