Molecule

ID:109429

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₂
Molecular Mass
240.29704
Exact Mass
240.11502975
Charge
0
InChI
InChI=1S/C16H16O2/c1-17-15-9-5-13(6-10-15)3-4-14-7-11-16(18-2)12-8-14/h3-12H,1-2H3
InChIKey
CAWFCZIEFIQKRV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/c1ccc(cc1)OC
Isomeric Smiles
COc1ccc(cc1)/C=C/c1ccc(OC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9977443
LogD (pH = 7.4)
3.9977443
Log P
3.9977443
Molar Refractivity
74.4392
Polarizability
28.581566
Polar Surface Area
18.46
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