Molecule

ID:50149

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClO₂
Molecular Mass
226.6993
Exact Mass
226.0760574
Charge
0
InChI
InChI=1S/C12H15ClO2/c1-3-5-15-12-10(8-14)6-9(4-2)7-11(12)13/h6-8H,3-5H2,1-2H3
InChIKey
LKXFWSARFBIWKC-UHFFFAOYSA-N
Canonic Smiles
CCCOc1c(Cl)cc(cc1C=O)CC
Isomeric Smiles
c1(c(c(cc(c1)CC)Cl)OCCC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.969442
LogD (pH = 7.4)
3.969442
Log P
3.969442
Molar Refractivity
62.8248
Polarizability
23.919554
Polar Surface Area
26.3
Rotatable Bonds
5
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