Molecule

ID:45305

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKey
JAICGBJIBWDEIZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OCc1ccccc1
Isomeric Smiles
O=Cc1cc(OCc2ccccc2)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2525501
LogD (pH = 7.4)
3.2525501
Log P
3.2525501
Molar Refractivity
63.7178
Polarizability
24.341969
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
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