Molecule

ID:39928

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-2-19-16(18)13-9-7-12(8-10-13)15-6-4-3-5-14(15)11-17/h3-11H,2H2,1H3
InChIKey
GEWDTBPSTDXEPT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)c1ccccc1C=O
Isomeric Smiles
C(=O)(c1ccc(c2c(C=O)cccc2)cc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6932585
LogD (pH = 7.4)
3.6932585
Log P
3.6932585
Molar Refractivity
74.5521
Polarizability
29.45493
Polar Surface Area
43.37
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