Molecule
ID:78664
General Information
Molecular Formula
C₂₁H₁₆O
Molecular Mass
284.35114
Exact Mass
284.12011513
Charge
0
InChI
InChI=1S/C21H16O/c22-21(16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-16H
InChIKey
LTWFSMHHLMTFFU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
16.901308
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.5375504
LogD (pH = 7.4)
5.5375504
Log P
5.5375504
Molar Refractivity
92.0132
Polarizability
36.49409
Polar Surface Area
17.07
Rotatable Bonds
4
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...