Molecule

ID:16168

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c15-13-7-4-8-14(11-13)16-10-9-12-5-2-1-3-6-12;/h1-8,11H,9-10,15H2;1H
InChIKey
NSMNJRBKWVFPPZ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)OCCc1ccccc1.Cl
Isomeric Smiles
c1c(N)cccc1OCCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9859946
LogD (pH = 7.4)
2.9996066
Log P
2.9997828
Molar Refractivity
66.5892
Polarizability
25.37681
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