Molecule

ID:135672

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₃
Molecular Mass
166.1739
Exact Mass
166.06299418
Charge
0
InChI
InChI=1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3
InChIKey
XPDORSROGAZEGY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)COC=O
Isomeric Smiles
COc1ccc(cc1)COC=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4406515
LogD (pH = 7.4)
1.4406515
Log P
1.4406515
Molar Refractivity
43.9981
Polarizability
17.296322
Polar Surface Area
35.53
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