Molecule
ID:83576
General Information
Molecular Formula
C₂₆H₂₀O₂
Molecular Mass
364.4358
Exact Mass
364.14632988
Charge
0
InChI
InChI=1S/C26H20O2/c27-24(17-15-20-9-3-1-4-10-20)26-23-14-8-7-13-22(23)16-18-25(26)28-19-21-11-5-2-6-12-21/h1-18H,19H2
InChIKey
YDLIXDZCGHDVMB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(OCc2ccccc2)ccc2c1cccc2)/C=C/c1ccccc1
Isomeric Smiles
O(c1c(c2ccccc2cc1)C(=O)/C=C/c1ccccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.208359
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.446604
LogD (pH = 7.4)
6.446604
Log P
6.446604
Molar Refractivity
114.403
Polarizability
45.115604
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...