Molecule

ID:69961

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₃
Molecular Mass
166.1739
Exact Mass
166.06299418
Charge
0
InChI
InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3
InChIKey
JIVGSHFYXPRRSZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OC)C=O
Isomeric Smiles
C(=O)c1c(c(ccc1)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3704057
LogD (pH = 7.4)
1.3704057
Log P
1.3704057
Molar Refractivity
45.5684
Polarizability
17.269808
Polar Surface Area
35.53
Rotatable Bonds
3
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