Molecule

ID:18686

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO
Molecular Mass
225.71454
Exact Mass
225.09204182
Charge
0
InChI
InChI=1S/C12H16ClNO/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
InChIKey
KWLNQJLKIFFYNF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCC1CCNCC1
Isomeric Smiles
N1CCC(COc2ccc(Cl)cc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7074427
LogD (pH = 7.4)
-0.24667192
Log P
2.5239782
Molar Refractivity
62.3004
Polarizability
24.705406
Polar Surface Area
21.26
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