Molecule

ID:60586

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClO₃
Molecular Mass
276.71492
Exact Mass
276.05532196
Charge
0
InChI
InChI=1S/C15H13ClO3/c1-18-10-19-14-7-3-5-12(9-14)15(17)11-4-2-6-13(16)8-11/h2-9H,10H2,1H3
InChIKey
WAZZHPURGZNSOS-UHFFFAOYSA-N
Canonic Smiles
COCOc1cccc(c1)C(=O)c1cccc(c1)Cl
Isomeric Smiles
c1c(cc(cc1)C(=O)c1cc(ccc1)Cl)OCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9420977
LogD (pH = 7.4)
3.9420977
Log P
3.9420977
Molar Refractivity
73.7545
Polarizability
28.893375
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