Molecule

ID:110863

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₂
Molecular Mass
240.29704
Exact Mass
240.11502975
Charge
0
InChI
InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKey
ZOZIRNMDEZKZHM-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)OCCc1ccccc1
Isomeric Smiles
O=C(Cc1ccccc1)OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7700224
LogD (pH = 7.4)
3.7700224
Log P
3.7700224
Molar Refractivity
71.5023
Polarizability
28.072548
Polar Surface Area
26.3
Rotatable Bonds
6
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