Molecule

ID:83571

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆O₃
Molecular Mass
304.33924
Exact Mass
304.10994437
Charge
0
InChI
InChI=1S/C20H16O3/c21-19(13-12-17-9-6-14-22-17)18-10-4-5-11-20(18)23-15-16-7-2-1-3-8-16/h1-14H,15H2
InChIKey
PUHDIQSOUMEZBX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1OCc1ccccc1)/C=C/c1ccco1
Isomeric Smiles
o1c(ccc1)/C=C/C(=O)c1ccccc1OCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.526666
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.517374
LogD (pH = 7.4)
4.5173736
Log P
4.517374
Molar Refractivity
90.3437
Polarizability
34.316235
Polar Surface Area
39.44
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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