Molecule

ID:75589

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
InChIKey
ZONYXWQDUYMKFB-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(Oc2c1cccc2)c1ccccc1
Isomeric Smiles
O1c2ccccc2C(=O)CC1c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.10
LogD (pH = 5.5)
3.10
Log P
3.10
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
15.43
Polar Surface Area
26.30
Polarizability
24.34
Molar Refractivity
65.35
LOG S
-3.90
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