Molecule

ID:56865

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂O₃
Molecular Mass
311.15998
Exact Mass
310.0163496
Charge
0
InChI
InChI=1S/C15H12Cl2O3/c1-19-14-8-11(15(17)18)5-6-13(14)20-9-10-3-2-4-12(16)7-10/h2-8H,9H2,1H3
InChIKey
JEIJIQPDXNEOOQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OCc1cccc(c1)Cl)C(=O)Cl
Isomeric Smiles
c1cc(cc(c1OCc1cc(ccc1)Cl)OC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.177334
LogD (pH = 7.4)
4.177334
Log P
4.177334
Molar Refractivity
79.5165
Polarizability
30.602169
Polar Surface Area
35.53
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