Molecule

ID:125882

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₂
Molecular Mass
208.21212
Exact Mass
208.0524295
Charge
0
InChI
InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey
RZVHIXYEVGDQDX-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2C(=O)c2c1cccc2
Isomeric Smiles
O=C1c2ccccc2C(=O)c2ccccc12
Calculated Properties
JChem
LogD (pH = 7.4)
2.92
LogD (pH = 5.5)
2.92
Log P
2.92
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-7.32
Polar Surface Area
34.14
Polarizability
21.46
Molar Refractivity
61.15
LOG S
-4.41
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
Loading...
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...