Molecule

ID:85697

General Information
Structure
Molecular Formula
C₇H₈O₃
Molecular Mass
140.13662
Exact Mass
140.04734412
Charge
0
InChI
InChI=1S/C7H8O3/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3
InChIKey
UVRRIABXNIGUJZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccoc1C
Isomeric Smiles
o1ccc(c1C)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3165296
LogD (pH = 7.4)
1.3165296
Log P
1.3165296
Molar Refractivity
35.7464
Polarizability
13.440749
Polar Surface Area
39.44
Rotatable Bonds
2
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