Molecule

ID:80309

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-11-5-3-7-13(9-11)15(17)19-16(18)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKey
DGZSQLHPEZFGSI-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C(=O)OC(=O)c1cccc(c1)C
Isomeric Smiles
O(C(=O)c1cc(ccc1)C)C(=O)c1cccc(c1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8226724
LogD (pH = 7.4)
4.8226724
Log P
4.8226724
Molar Refractivity
73.5054
Polarizability
27.911026
Polar Surface Area
43.37
Rotatable Bonds
4
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
References
Bioactivity
Navigation