Molecule

ID:89645

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃ClO₃
Molecular Mass
240.68282
Exact Mass
240.05532196
Charge
0
InChI
InChI=1S/C12H13ClO3/c13-12(14)10-3-1-2-4-11(10)16-9-5-7-15-8-6-9/h1-4,9H,5-8H2
InChIKey
FYJPOEFQSOXMMO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccccc1OC1CCOCC1
Isomeric Smiles
O(C1CCOCC1)c1c(cccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9676732
LogD (pH = 7.4)
1.9676732
Log P
1.9676732
Molar Refractivity
62.1114
Polarizability
23.960135
Polar Surface Area
35.53
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