Molecule

ID:107302

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₂O
Molecular Mass
268.30868
Exact Mass
268.088815
Charge
0
InChI
InChI=1S/C20H12O/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-12H
InChIKey
YBJNAFSCQYGLMU-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)c1oc3c(c1cc2)ccc1c3cccc1
Isomeric Smiles
o1c2c(ccc3c2cccc3)c2c1c1c(cccc1)cc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.1302004
LogD (pH = 7.4)
5.1302004
Log P
5.1302004
Molar Refractivity
84.1272
Polarizability
37.82531
Polar Surface Area
13.14
Rotatable Bonds
0
Lipinski's Rule of Five
false
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