Molecule

ID:78025

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₃
Molecular Mass
208.25364
Exact Mass
208.10994437
Charge
0
InChI
InChI=1S/C12H16O3/c1-13-7-6-10-2-4-11(5-3-10)14-8-12-9-15-12/h2-5,12H,6-9H2,1H3
InChIKey
UEOWFGJMGUIGHC-UHFFFAOYSA-N
Canonic Smiles
COCCc1ccc(cc1)OCC1OC1
Isomeric Smiles
O1CC1COc1ccc(cc1)CCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8212792
LogD (pH = 7.4)
1.8212792
Log P
1.8212792
Molar Refractivity
57.588
Polarizability
22.630125
Polar Surface Area
30.99
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